N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C19H32N2 — CID 63468848

IUPACN'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H32N2/c1-6-9-20-18(13-21(5)12-17-7-8-17)19-15(3)10-14(2)11-16(19)4/h10-11,17-18,20H,6-9,12-13H2,1-5H3
InChIKeyHQUUIJGTYNNKDY-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.99
Rot. Bonds8

About N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 63468848) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID63468848
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCCCNC(CN(C)CC1CC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H32N2/c1-6-9-20-18(13-21(5)12-17-7-8-17)19-15(3)10-14(2)11-16(19)4/h10-11,17-18,20H,6-9,12-13H2,1-5H3
InChIKeyHQUUIJGTYNNKDY-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54884594
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63880271
1-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62043365
1-cyclopropyl-N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 63913660
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65382922
N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 64651707
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 63468848) is N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is CCCNC(CN(C)CC1CC1)c1c(C)cc(C)cc1C.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is HQUUIJGTYNNKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-9-20-18(13-21(5)12-17-7-8-17)19-15(3)10-14(2)11-16(19)4/h10-11,17-18,20H,6-9,12-13H2,1-5H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63468848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).