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

C19H39N — CID 81028144

IUPACN-[(2-nonylcyclohexyl)methyl]propan-1-amine
SMILESCCCCCCCCCC1CCCCC1CNCCC
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-13-18-14-11-12-15-19(18)17-20-16-4-2/h18-20H,3-17H2,1-2H3
InChIKeyYCTDMSMKLDUNPL-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.93
Rot. Bonds12

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

N-[(2-nonylcyclohexyl)methyl]propan-1-amine (PubChem CID 81028144) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-[(2-nonylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-nonylcyclohexyl)methyl]propan-1-amine
PubChem CID81028144
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-[(2-nonylcyclohexyl)methyl]propan-1-amine
SMILESCCCCCCCCCC1CCCCC1CNCCC
InChIInChI=1S/C19H39N/c1-3-5-6-7-8-9-10-13-18-14-11-12-15-19(18)17-20-16-4-2/h18-20H,3-17H2,1-2H3
InChIKeyYCTDMSMKLDUNPL-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.93
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-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 142903578
N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
CID 81027900
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
N-[(2-octylcyclopentyl)methyl]cyclopropanamine
CID 81033237
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
2-(butylaminomethyl)cyclohexan-1-amine
CID 64850484

Frequently Asked Questions

What is the IUPAC name of N-[(2-nonylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-nonylcyclohexyl)methyl]propan-1-amine (CID 81028144) is N-[(2-nonylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-nonylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-nonylcyclohexyl)methyl]propan-1-amine is CCCCCCCCCC1CCCCC1CNCCC.
What is the InChIKey of N-[(2-nonylcyclohexyl)methyl]propan-1-amine?
The InChIKey is YCTDMSMKLDUNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-3-5-6-7-8-9-10-13-18-14-11-12-15-19(18)17-20-16-4-2/h18-20H,3-17H2,1-2H3.
What are the key properties of N-[(2-nonylcyclohexyl)methyl]propan-1-amine?
N-[(2-nonylcyclohexyl)methyl]propan-1-amine has a molecular weight of 281.53 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nonylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 81028144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).