N-(1-phenylethyl)-1-propylazepan-4-amine

C17H28N2 — CID 65072569

IUPACN-(1-phenylethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-3-12-19-13-7-10-17(11-14-19)18-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3
InChIKeyZQEQYMKSKITOIR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.60
Rot. Bonds5

About N-(1-phenylethyl)-1-propylazepan-4-amine

N-(1-phenylethyl)-1-propylazepan-4-amine (PubChem CID 65072569) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-propylazepan-4-amine
PubChem CID65072569
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(1-phenylethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-3-12-19-13-7-10-17(11-14-19)18-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3
InChIKeyZQEQYMKSKITOIR-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218
1-methyl-N-[(1S)-1-phenylethyl]azepan-4-amine
CID 81350289
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
N-(3,3-diphenylpropyl)-1-propylpiperidin-4-amine
CID 2846321
N-(2-phenylethyl)-1-propylazepan-4-amine
CID 65072843

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-propylazepan-4-amine?
The IUPAC name of N-(1-phenylethyl)-1-propylazepan-4-amine (CID 65072569) is N-(1-phenylethyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(1-phenylethyl)-1-propylazepan-4-amine is CCCN1CCCC(NC(C)c2ccccc2)CC1.
What is the InChIKey of N-(1-phenylethyl)-1-propylazepan-4-amine?
The InChIKey is ZQEQYMKSKITOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-12-19-13-7-10-17(11-14-19)18-15(2)16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-14H2,1-2H3.
What are the key properties of N-(1-phenylethyl)-1-propylazepan-4-amine?
N-(1-phenylethyl)-1-propylazepan-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65072569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).