N-[(2-benzylcycloheptyl)methyl]propan-2-amine

C18H29N — CID 81026493

IUPACN-[(2-benzylcycloheptyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1Cc1ccccc1
InChIInChI=1S/C18H29N/c1-15(2)19-14-18-12-8-4-7-11-17(18)13-16-9-5-3-6-10-16/h3,5-6,9-10,15,17-19H,4,7-8,11-14H2,1-2H3
InChIKeyFWECMYLJHXCYNU-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds5

About N-[(2-benzylcycloheptyl)methyl]propan-2-amine

N-[(2-benzylcycloheptyl)methyl]propan-2-amine (PubChem CID 81026493) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(2-benzylcycloheptyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-benzylcycloheptyl)methyl]propan-2-amine
PubChem CID81026493
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(2-benzylcycloheptyl)methyl]propan-2-amine
SMILESCC(C)NCC1CCCCCC1Cc1ccccc1
InChIInChI=1S/C18H29N/c1-15(2)19-14-18-12-8-4-7-11-17(18)13-16-9-5-3-6-10-16/h3,5-6,9-10,15,17-19H,4,7-8,11-14H2,1-2H3
InChIKeyFWECMYLJHXCYNU-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81025704
N-[[2-[(4-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81026709
N-[[2-[(4-ethylphenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033706
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[(2-benzylcyclopentyl)methyl]-2-methylpropan-1-amine
CID 81028227
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
N-[[2-[(2-methoxyphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 81034896
N-[[2-(2,3-dihydro-1H-inden-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81028379
N-[[2-[(5-chloro-2-fluorophenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103051836
N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033729
N-[[2-[(5-fluoro-2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
CID 105376313

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzylcycloheptyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-benzylcycloheptyl)methyl]propan-2-amine (CID 81026493) is N-[(2-benzylcycloheptyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-benzylcycloheptyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-benzylcycloheptyl)methyl]propan-2-amine is CC(C)NCC1CCCCCC1Cc1ccccc1.
What is the InChIKey of N-[(2-benzylcycloheptyl)methyl]propan-2-amine?
The InChIKey is FWECMYLJHXCYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-15(2)19-14-18-12-8-4-7-11-17(18)13-16-9-5-3-6-10-16/h3,5-6,9-10,15,17-19H,4,7-8,11-14H2,1-2H3.
What are the key properties of N-[(2-benzylcycloheptyl)methyl]propan-2-amine?
N-[(2-benzylcycloheptyl)methyl]propan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylcycloheptyl)methyl]propan-2-amine is sourced from PubChem (CID 81026493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).