1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine

C18H32N2O — CID 43193479

IUPAC1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)c1cccc(OC)c1
InChIInChI=1S/C18H32N2O/c1-6-20(7-2)13-9-10-15(3)19-16(4)17-11-8-12-18(14-17)21-5/h8,11-12,14-16,19H,6-7,9-10,13H2,1-5H3
InChIKeyUDUAALJOGYRAGV-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.86
Rot. Bonds10

About 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine (PubChem CID 43193479) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
PubChem CID43193479
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC(C)c1cccc(OC)c1
InChIInChI=1S/C18H32N2O/c1-6-20(7-2)13-9-10-15(3)19-16(4)17-11-8-12-18(14-17)21-5/h8,11-12,14-16,19H,6-7,9-10,13H2,1-5H3
InChIKeyUDUAALJOGYRAGV-UHFFFAOYSA-N
XLogP3.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81354744
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
CID 43178400
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373348
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine (CID 43193479) is 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NC(C)c1cccc(OC)c1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine?
The InChIKey is UDUAALJOGYRAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-20(7-2)13-9-10-15(3)19-16(4)17-11-8-12-18(14-17)21-5/h8,11-12,14-16,19H,6-7,9-10,13H2,1-5H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine is sourced from PubChem (CID 43193479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).