1-(2-hexylcycloheptyl)-N-methylmethanamine

C15H31N — CID 81025973

IUPAC1-(2-hexylcycloheptyl)-N-methylmethanamine
SMILESCCCCCCC1CCCCCC1CNC
InChIInChI=1S/C15H31N/c1-3-4-5-7-10-14-11-8-6-9-12-15(14)13-16-2/h14-16H,3-13H2,1-2H3
InChIKeyMETNKDLWVBNISB-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds7

About 1-(2-hexylcycloheptyl)-N-methylmethanamine

1-(2-hexylcycloheptyl)-N-methylmethanamine (PubChem CID 81025973) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(2-hexylcycloheptyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-hexylcycloheptyl)-N-methylmethanamine
PubChem CID81025973
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(2-hexylcycloheptyl)-N-methylmethanamine
SMILESCCCCCCC1CCCCCC1CNC
InChIInChI=1S/C15H31N/c1-3-4-5-7-10-14-11-8-6-9-12-15(14)13-16-2/h14-16H,3-13H2,1-2H3
InChIKeyMETNKDLWVBNISB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
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-decylcyclohexyl)methyl]ethanamine
CID 81027246
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
1,2-diheptylcyclopentane
CID 102061720
1-octyl-2-pentylcyclopentane
CID 170668279
1-heptyl-2-pentylcyclopentane
CID 102061725
N-methyl-1-(4-methyl-2-nonylcyclohexyl)methanamine
CID 81025245
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
1-(2-hexyl-4-propylcyclohexyl)-N-methylmethanamine
CID 81029078
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
1-(2-hexyloxan-3-yl)-N-methylmethanamine
CID 79365540
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexylcycloheptyl)-N-methylmethanamine?
The IUPAC name of 1-(2-hexylcycloheptyl)-N-methylmethanamine (CID 81025973) is 1-(2-hexylcycloheptyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-hexylcycloheptyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-hexylcycloheptyl)-N-methylmethanamine is CCCCCCC1CCCCCC1CNC.
What is the InChIKey of 1-(2-hexylcycloheptyl)-N-methylmethanamine?
The InChIKey is METNKDLWVBNISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-4-5-7-10-14-11-8-6-9-12-15(14)13-16-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-(2-hexylcycloheptyl)-N-methylmethanamine?
1-(2-hexylcycloheptyl)-N-methylmethanamine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexylcycloheptyl)-N-methylmethanamine is sourced from PubChem (CID 81025973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).