N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine

C18H28N2 — CID 61240000

IUPACN-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
SMILESc1ccc(C2CC(NCCN3CCCCCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-2-7-12-20(11-6-1)13-10-19-18-14-17(15-18)16-8-4-3-5-9-16/h3-5,8-9,17-19H,1-2,6-7,10-15H2
InChIKeySZWKFPRFSBNQEL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine

N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine (PubChem CID 61240000) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
PubChem CID61240000
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
SMILESc1ccc(C2CC(NCCN3CCCCCC3)C2)cc1
InChIInChI=1S/C18H28N2/c1-2-7-12-20(11-6-1)13-10-19-18-14-17(15-18)16-8-4-3-5-9-16/h3-5,8-9,17-19H,1-2,6-7,10-15H2
InChIKeySZWKFPRFSBNQEL-UHFFFAOYSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
CID 80560908
trans-(1S,3S)-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-phenylcyclopentan-1-amine
CID 129446341
3-(4-bromophenyl)-N-(2-thiomorpholin-4-ylethyl)cyclobutan-1-amine
CID 107167435
3-(4-bromophenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633757
3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)cyclobutan-1-amine
CID 43633758
3-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
3-[(3-phenylcyclobutyl)amino]propanenitrile
CID 43632270
N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
CID 43632316
1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine
CID 80559719
3-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclobutan-1-amine
CID 103560886

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine (CID 61240000) is N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine is c1ccc(C2CC(NCCN3CCCCCC3)C2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine?
The InChIKey is SZWKFPRFSBNQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-7-12-20(11-6-1)13-10-19-18-14-17(15-18)16-8-4-3-5-9-16/h3-5,8-9,17-19H,1-2,6-7,10-15H2.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine?
N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 61240000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).