3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine

C17H20N2 — CID 43632220

IUPAC3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2)C1)c1cccnc1
InChIInChI=1S/C17H20N2/c1-13(15-8-5-9-18-12-15)19-17-10-16(11-17)14-6-3-2-4-7-14/h2-9,12-13,16-17,19H,10-11H2,1H3
InChIKeyNSSVFOMGSPCXLF-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.68
Rot. Bonds4

About 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine

3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine (PubChem CID 43632220) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
PubChem CID43632220
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
SMILESCC(NC1CC(c2ccccc2)C1)c1cccnc1
InChIInChI=1S/C17H20N2/c1-13(15-8-5-9-18-12-15)19-17-10-16(11-17)14-6-3-2-4-7-14/h2-9,12-13,16-17,19H,10-11H2,1H3
InChIKeyNSSVFOMGSPCXLF-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
CID 43634317
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
3-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1,3-diamine
CID 81406551
N-[1-(3-methoxyphenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 60945450
N-[1-(4-bromophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 63453740
1-[4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]ethanone
CID 78950814
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81407407
1,1-dioxo-N-[(1R)-1-pyridin-3-ylethyl]thian-4-amine
CID 81404409
1-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 28716728

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine (CID 43632220) is 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine is CC(NC1CC(c2ccccc2)C1)c1cccnc1.
What is the InChIKey of 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine?
The InChIKey is NSSVFOMGSPCXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13(15-8-5-9-18-12-15)19-17-10-16(11-17)14-6-3-2-4-7-14/h2-9,12-13,16-17,19H,10-11H2,1H3.
What are the key properties of 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine?
3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 43632220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).