1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

C18H32N2 — CID 43111554

IUPAC1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCCc1ccc(C(C)NCC(CC(C)C)N(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-16-8-10-17(11-9-16)15(4)19-13-18(20(5)6)12-14(2)3/h8-11,14-15,18-19H,7,12-13H2,1-6H3
InChIKeyGFNMHHVZDSVHDR-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.88
Rot. Bonds8

About 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 43111554) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID43111554
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCCc1ccc(C(C)NCC(CC(C)C)N(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-16-8-10-17(11-9-16)15(4)19-13-18(20(5)6)12-14(2)3/h8-11,14-15,18-19H,7,12-13H2,1-6H3
InChIKeyGFNMHHVZDSVHDR-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
5-[1-[[2-(dimethylamino)-4-methylpentyl]amino]ethyl]benzene-1,3-diol
CID 107705372
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420
1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720633
4-[1-[2-(dimethylamino)propylamino]ethyl]phenol
CID 61043440
1-N-[(4-ethoxyphenyl)methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43096585
N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192150
1-[[1-(4-ethylphenyl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107346
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107353919

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 43111554) is 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is CCc1ccc(C(C)NCC(CC(C)C)N(C)C)cc1.
What is the InChIKey of 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is GFNMHHVZDSVHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-16-8-10-17(11-9-16)15(4)19-13-18(20(5)6)12-14(2)3/h8-11,14-15,18-19H,7,12-13H2,1-6H3.
What are the key properties of 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-ethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 43111554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).