ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine

C19H41N — CID 142903578

IUPACethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
SMILESCC.CCCCCCC1CCCCC1CNCC(C)C
InChIInChI=1S/C17H35N.C2H6/c1-4-5-6-7-10-16-11-8-9-12-17(16)14-18-13-15(2)3;1-2/h15-18H,4-14H2,1-3H3;1-2H3
InChIKeyITUJJVMNYYCLQT-UHFFFAOYSA-N
MW283.54 g/mol
LogP6.03
Rot. Bonds9

About ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine

ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine (PubChem CID 142903578) has the molecular formula C19H41N and a molecular weight of 283.54 g/mol. Its IUPAC name is ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
PubChem CID142903578
Molecular FormulaC19H41N
Molecular Weight283.54 g/mol
Exact Mass283.32
IUPAC Nameethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine
SMILESCC.CCCCCCC1CCCCC1CNCC(C)C
InChIInChI=1S/C17H35N.C2H6/c1-4-5-6-7-10-16-11-8-9-12-17(16)14-18-13-15(2)3;1-2/h15-18H,4-14H2,1-3H3;1-2H3
InChIKeyITUJJVMNYYCLQT-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.54
LogP ≤ 56.03
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
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
2-methyl-N-[[2-(3-methylsulfonylpropyl)cyclohexyl]methyl]propan-1-amine
CID 81024941
N-[[2-(4,4-dimethylpentyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114210659
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
1-heptyl-2-pentylcyclopentane
CID 102061725
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-butyl-4-ethylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81029219

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine (CID 142903578) is ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine is CC.CCCCCCC1CCCCC1CNCC(C)C.
What is the InChIKey of ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine?
The InChIKey is ITUJJVMNYYCLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N.C2H6/c1-4-5-6-7-10-16-11-8-9-12-17(16)14-18-13-15(2)3;1-2/h15-18H,4-14H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine?
ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine has a molecular weight of 283.54 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2-hexylcyclohexyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 142903578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).