N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine

C17H28N2 — CID 65072849

IUPACN-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCCc1cccc(NC2CCCN(C(C)C)CC2)c1
InChIInChI=1S/C17H28N2/c1-4-15-7-5-8-17(13-15)18-16-9-6-11-19(12-10-16)14(2)3/h5,7-8,13-14,16,18H,4,6,9-12H2,1-3H3
InChIKeyBLAJOYMSCODPCI-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.92
Rot. Bonds4

About N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine

N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine (PubChem CID 65072849) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
PubChem CID65072849
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCCc1cccc(NC2CCCN(C(C)C)CC2)c1
InChIInChI=1S/C17H28N2/c1-4-15-7-5-8-17(13-15)18-16-9-6-11-19(12-10-16)14(2)3/h5,7-8,13-14,16,18H,4,6,9-12H2,1-3H3
InChIKeyBLAJOYMSCODPCI-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
CID 65074545
N-cyclohexyl-3-ethylaniline
CID 11009024
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
N-ethyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzamide
CID 43680712
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
methyl N-[3-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]carbamate
CID 60944093
1-propan-2-yl-N-(3-pyrazol-1-ylphenyl)piperidin-4-amine
CID 43739937
N-[3-(aminomethyl)phenyl]-1-ethylpiperidin-4-amine
CID 174624334
[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
2-[4-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]ethanol
CID 61237683
N-(3-bromophenyl)-1-ethylazepan-4-amine
CID 65072536

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine (CID 65072849) is N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine is CCc1cccc(NC2CCCN(C(C)C)CC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is BLAJOYMSCODPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-7-5-8-17(13-15)18-16-9-6-11-19(12-10-16)14(2)3/h5,7-8,13-14,16,18H,4,6,9-12H2,1-3H3.
What are the key properties of N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine?
N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65072849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).