N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine

C20H31N — CID 82932692

IUPACN-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine
SMILESCCNC(C1CCCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H31N/c1-2-21-19(17-11-6-3-4-7-12-17)20(15-10-16-20)18-13-8-5-9-14-18/h5,8-9,13-14,17,19,21H,2-4,6-7,10-12,15-16H2,1H3
InChIKeyFPYHOZMXVYKUSF-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.06
Rot. Bonds5

About N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine

N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine (PubChem CID 82932692) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine
PubChem CID82932692
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine
SMILESCCNC(C1CCCCCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H31N/c1-2-21-19(17-11-6-3-4-7-12-17)20(15-10-16-20)18-13-8-5-9-14-18/h5,8-9,13-14,17,19,21H,2-4,6-7,10-12,15-16H2,1H3
InChIKeyFPYHOZMXVYKUSF-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-methyl-1-(1-phenylcyclohexyl)methanamine
CID 63418165
N-[(2-ethylcyclohexyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63862736
[cyclopentyl-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217048
N-[oxan-3-yl-(1-phenylcyclobutyl)methyl]propan-1-amine
CID 107136335
cycloheptyl-(1-phenylcyclobutyl)methanol
CID 82932083
N-[2-cyclopentyl-1-(1-phenylcyclobutyl)ethyl]propan-1-amine
CID 63417932
N-ethyl-1-(1-phenylcyclopentyl)propan-1-amine
CID 63079391
N-methyl-1-(oxan-4-yl)-1-(1-phenylcyclohexyl)methanamine
CID 63935895
N-ethyl-2-methyl-1-(1-phenylcyclobutyl)prop-2-en-1-amine
CID 79178161
N-ethyl-4-methyl-1-(1-phenylcyclobutyl)pentan-1-amine
CID 63417531
N-ethyl-1-(1-phenylcyclobutyl)but-3-en-1-amine
CID 63078290
1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
CID 63417640

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine (CID 82932692) is N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine is CCNC(C1CCCCCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine?
The InChIKey is FPYHOZMXVYKUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-21-19(17-11-6-3-4-7-12-17)20(15-10-16-20)18-13-8-5-9-14-18/h5,8-9,13-14,17,19,21H,2-4,6-7,10-12,15-16H2,1H3.
What are the key properties of N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine?
N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine has a molecular weight of 285.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(1-phenylcyclobutyl)methyl]ethanamine is sourced from PubChem (CID 82932692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).