N-(2-phenylethyl)-1-propylazepan-4-amine

C17H28N2 — CID 65072843

IUPACN-(2-phenylethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCCc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-2-13-19-14-6-9-17(11-15-19)18-12-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKeyQLZSPTMDQYGSCB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.08
Rot. Bonds6

About N-(2-phenylethyl)-1-propylazepan-4-amine

N-(2-phenylethyl)-1-propylazepan-4-amine (PubChem CID 65072843) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-propylazepan-4-amine
PubChem CID65072843
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(2-phenylethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NCCc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-2-13-19-14-6-9-17(11-15-19)18-12-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3
InChIKeyQLZSPTMDQYGSCB-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
N-(3,3-diphenylpropyl)-1-propylpiperidin-4-amine
CID 2846321
N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109233
ethane;fluoromethane;1-methyl-N-(2-phenylethyl)piperidin-4-amine
CID 144962776
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
N-[2-(3-fluorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 119164826
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]-N-propylacetamide
CID 119164761
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
1-ethyl-N-[2-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 107850209

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-propylazepan-4-amine?
The IUPAC name of N-(2-phenylethyl)-1-propylazepan-4-amine (CID 65072843) is N-(2-phenylethyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2-phenylethyl)-1-propylazepan-4-amine is CCCN1CCCC(NCCc2ccccc2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-propylazepan-4-amine?
The InChIKey is QLZSPTMDQYGSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-13-19-14-6-9-17(11-15-19)18-12-10-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3.
What are the key properties of N-(2-phenylethyl)-1-propylazepan-4-amine?
N-(2-phenylethyl)-1-propylazepan-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65072843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).