N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine

C15H30ClN — CID 106123390

IUPACN-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC1CCC(Cl)CC1
InChIInChI=1S/C15H30ClN/c1-3-5-6-13(4-2)11-17-12-14-7-9-15(16)10-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyPTZQKJXPNKJQRY-UHFFFAOYSA-N
MW259.86 g/mol
LogP4.59
Rot. Bonds8

About N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine

N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine (PubChem CID 106123390) has the molecular formula C15H30ClN and a molecular weight of 259.86 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine
PubChem CID106123390
Molecular FormulaC15H30ClN
Molecular Weight259.86 g/mol
Exact Mass259.21
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCC1CCC(Cl)CC1
InChIInChI=1S/C15H30ClN/c1-3-5-6-13(4-2)11-17-12-14-7-9-15(16)10-8-14/h13-15,17H,3-12H2,1-2H3
InChIKeyPTZQKJXPNKJQRY-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.86
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethoxy)-3-(2-ethylhexylamino)propan-2-ol
CID 103600432
N-(cyclopropylmethyl)-4-ethoxy-2-ethylbutan-1-amine
CID 102547557
5-[(2-ethylhexylamino)methyl]oxolane-2-carboxylic acid
CID 114004300
octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine
CID 106117073
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
N-(2-ethylhexyl)-4-propylcyclohexan-1-amine
CID 43080495
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethylhexan-1-amine
CID 114004229
N,2-diethylhexan-1-amine
CID 14272988
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine (CID 106123390) is N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine is CCCCC(CC)CNCC1CCC(Cl)CC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine?
The InChIKey is PTZQKJXPNKJQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN/c1-3-5-6-13(4-2)11-17-12-14-7-9-15(16)10-8-14/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine?
N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine has a molecular weight of 259.86 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 106123390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).