N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine

C18H32N2 — CID 107441233

IUPACN'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCCc1ccc(C(NCC(CN)C(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-15-7-9-16(10-8-15)18(14(4)5)20-12-17(11-19)13(2)3/h7-10,13-14,17-18,20H,6,11-12,19H2,1-5H3
InChIKeyPFUITVJOIFDAPI-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.77
Rot. Bonds8

About N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine

N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441233) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441233
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCCc1ccc(C(NCC(CN)C(C)C)C(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-15-7-9-16(10-8-15)18(14(4)5)20-12-17(11-19)13(2)3/h7-10,13-14,17-18,20H,6,11-12,19H2,1-5H3
InChIKeyPFUITVJOIFDAPI-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442907
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
CID 43081080
N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 107444712
2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
CID 43103836
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
(2S,3S)-2-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpentanamide
CID 61273458
[1-(4-ethylphenyl)-2-methylbutyl]hydrazine
CID 105197447
2-propan-2-yl-N'-[1-(4-propan-2-yloxyphenyl)ethyl]propane-1,3-diamine
CID 107441417
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
1-(4-ethylphenyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62654329
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine (CID 107441233) is N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine is CCc1ccc(C(NCC(CN)C(C)C)C(C)C)cc1.
What is the InChIKey of N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is PFUITVJOIFDAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-15-7-9-16(10-8-15)18(14(4)5)20-12-17(11-19)13(2)3/h7-10,13-14,17-18,20H,6,11-12,19H2,1-5H3.
What are the key properties of N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).