N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine

C30H48N2O5 — CID 13195716

IUPACN'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine
SMILESCOc1ccc(CCN(C)CCCC(CN(C)C)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC
InChIInChI=1S/C30H48N2O5/c1-22(2)30(21-31(3)4,24-19-27(35-8)29(37-10)28(20-24)36-9)15-11-16-32(5)17-14-23-12-13-25(33-6)26(18-23)34-7/h12-13,18-20,22H,11,14-17,21H2,1-10H3
InChIKeyHLQNOKMQRAULFA-UHFFFAOYSA-N
MW516.72 g/mol
LogP5.14
Rot. Bonds16

About N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine

N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine (PubChem CID 13195716) has the molecular formula C30H48N2O5 and a molecular weight of 516.72 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine
PubChem CID13195716
Molecular FormulaC30H48N2O5
Molecular Weight516.72 g/mol
Exact Mass516.36
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine
SMILESCOc1ccc(CCN(C)CCCC(CN(C)C)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC
InChIInChI=1S/C30H48N2O5/c1-22(2)30(21-31(3)4,24-19-27(35-8)29(37-10)28(20-24)36-9)15-11-16-32(5)17-14-23-12-13-25(33-6)26(18-23)34-7/h12-13,18-20,22H,11,14-17,21H2,1-10H3
InChIKeyHLQNOKMQRAULFA-UHFFFAOYSA-N
XLogP5.14
TPSA52.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.72
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
CID 70535676
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine;dihydrochloride
CID 70535825
5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;ethane
CID 142959137
N-butyl-2-(3,4-dimethoxyphenyl)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
CID 70535827
4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-propan-2-ylhex-5-yn-1-amine
CID 176727000
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrate;hydrochloride
CID 23581799
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
propan-2-yl 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-methylpentanoate
CID 25130322
(2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;sulfuric acid
CID 25032907
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)pentanenitrile;hydrochloride
CID 46783238
2-(3,4-dimethoxyphenyl)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methyl-2-propan-2-yl-N-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methyl]pentane-1,5-diamine
CID 46886428
(2S)-5-[methyl(2-phenylethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CID 70372144

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine (CID 13195716) is N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine is COc1ccc(CCN(C)CCCC(CN(C)C)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine?
The InChIKey is HLQNOKMQRAULFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2O5/c1-22(2)30(21-31(3)4,24-19-27(35-8)29(37-10)28(20-24)36-9)15-11-16-32(5)17-14-23-12-13-25(33-6)26(18-23)34-7/h12-13,18-20,22H,11,14-17,21H2,1-10H3.
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine?
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine has a molecular weight of 516.72 g/mol, XLogP of 5.14, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N,N'-trimethyl-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentane-1,5-diamine is sourced from PubChem (CID 13195716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).