N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine

C18H28N2 — CID 83116777

IUPACN,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine
SMILESCN(C)C1(CNC2CC(c3ccccc3)C2)CCCC1
InChIInChI=1S/C18H28N2/c1-20(2)18(10-6-7-11-18)14-19-17-12-16(13-17)15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,6-7,10-14H2,1-2H3
InChIKeyYJVKGNHKYUGHMT-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.40
Rot. Bonds5

About N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine

N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine (PubChem CID 83116777) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine
PubChem CID83116777
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine
SMILESCN(C)C1(CNC2CC(c3ccccc3)C2)CCCC1
InChIInChI=1S/C18H28N2/c1-20(2)18(10-6-7-11-18)14-19-17-12-16(13-17)15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,6-7,10-14H2,1-2H3
InChIKeyYJVKGNHKYUGHMT-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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine (CID 83116777) is N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine is CN(C)C1(CNC2CC(c3ccccc3)C2)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is YJVKGNHKYUGHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-20(2)18(10-6-7-11-18)14-19-17-12-16(13-17)15-8-4-3-5-9-15/h3-5,8-9,16-17,19H,6-7,10-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine?
N,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-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,N-dimethyl-1-[[(3-phenylcyclobutyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 83116777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).