N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine

C17H33N — CID 81026009

IUPACN-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1C1CCCCC1
InChIInChI=1S/C17H33N/c1-2-13-18-14-16-11-7-4-8-12-17(16)15-9-5-3-6-10-15/h15-18H,2-14H2,1H3
InChIKeyXDBRYHXJFVXZKY-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds5

About N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine

N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine (PubChem CID 81026009) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
PubChem CID81026009
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1C1CCCCC1
InChIInChI=1S/C17H33N/c1-2-13-18-14-16-11-7-4-8-12-17(16)15-9-5-3-6-10-15/h15-18H,2-14H2,1H3
InChIKeyXDBRYHXJFVXZKY-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
CID 81033857
N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine
CID 81028730
N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
N-[[2-[(3Z)-3-butylcyclooct-3-en-1-yl]cycloheptyl]methyl]propan-1-amine
CID 166979259
1-(2-cyclohexylcycloheptyl)-N-methylmethanamine
CID 81025955
N-[[2-(3-methylsulfonylcyclohexyl)cyclopentyl]methyl]propan-1-amine
CID 81034468
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
N-[(2-cyclooctyloxolan-3-yl)methyl]propan-1-amine
CID 114207979
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-cyclopentylcycloheptyl)methyl]-2-methylpropan-2-amine
CID 81025228
N-[[2-(ethoxymethyl)cycloheptyl]methyl]propan-1-amine
CID 81025395
N-[(2-cycloheptylcycloheptyl)methyl]cyclopropanamine
CID 82935728

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine (CID 81026009) is N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine is CCCNCC1CCCCCC1C1CCCCC1.
What is the InChIKey of N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine?
The InChIKey is XDBRYHXJFVXZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-2-13-18-14-16-11-7-4-8-12-17(16)15-9-5-3-6-10-15/h15-18H,2-14H2,1H3.
What are the key properties of N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine?
N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine is sourced from PubChem (CID 81026009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).