N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine

C17H25N — CID 43632316

IUPACN-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
SMILESc1ccc(C2CC(NCC3CCCCC3)C2)cc1
InChIInChI=1S/C17H25N/c1-3-7-14(8-4-1)13-18-17-11-16(12-17)15-9-5-2-6-10-15/h2,5-6,9-10,14,16-18H,1,3-4,7-8,11-13H2
InChIKeyJMYLAOOMYDVSPQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.10
Rot. Bonds4

About N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine

N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine (PubChem CID 43632316) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
PubChem CID43632316
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC NameN-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine
SMILESc1ccc(C2CC(NCC3CCCCC3)C2)cc1
InChIInChI=1S/C17H25N/c1-3-7-14(8-4-1)13-18-17-11-16(12-17)15-9-5-2-6-10-15/h2,5-6,9-10,14,16-18H,1,3-4,7-8,11-13H2
InChIKeyJMYLAOOMYDVSPQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
CID 19935156
N-(cyclohexylmethyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43635351
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
N-(cyclohexylmethyl)-3-(2-fluorophenyl)cyclobutan-1-amine
CID 43635354
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
CID 159076923
CID 159076923
N-(oxan-4-ylmethyl)-4-phenylcyclohexan-1-amine
CID 62385559
N'-cyclopentyl-N'-methyl-N-(3-phenylcyclobutyl)ethane-1,2-diamine
CID 63314496
N-[3-(cyclopropylmethoxy)propyl]-3-phenylcyclobutan-1-amine
CID 43632261
N-[2-(azepan-1-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 61240000
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine (CID 43632316) is N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine is c1ccc(C2CC(NCC3CCCCC3)C2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine?
The InChIKey is JMYLAOOMYDVSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-7-14(8-4-1)13-18-17-11-16(12-17)15-9-5-2-6-10-15/h2,5-6,9-10,14,16-18H,1,3-4,7-8,11-13H2.
What are the key properties of N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine?
N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 43632316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).