N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine

C13H26ClNO — CID 106457684

IUPACN-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCC1CCCCC1Cl
InChIInChI=1S/C13H26ClNO/c1-11(2)10-16-8-7-15-9-12-5-3-4-6-13(12)14/h11-13,15H,3-10H2,1-2H3
InChIKeyBLGJFTVRXRLUKL-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.05
Rot. Bonds7

About N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine

N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine (PubChem CID 106457684) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine
PubChem CID106457684
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine
SMILESCC(C)COCCNCC1CCCCC1Cl
InChIInChI=1S/C13H26ClNO/c1-11(2)10-16-8-7-15-9-12-5-3-4-6-13(12)14/h11-13,15H,3-10H2,1-2H3
InChIKeyBLGJFTVRXRLUKL-UHFFFAOYSA-N
XLogP3.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112591784
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-[(2-chlorocyclopentyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103413070
2-(2-methylpropoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 106452198
2-(2-methylpropoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897890
N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine
CID 82925040
2-(2-methylpropoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897891
N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106457899
N-[(2-chlorocyclohexyl)methyl]-3-phenoxypropan-1-amine
CID 65024952
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(3-methoxypropoxy)ethanamine
CID 103183994

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine (CID 106457684) is N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine is CC(C)COCCNCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine?
The InChIKey is BLGJFTVRXRLUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-11(2)10-16-8-7-15-9-12-5-3-4-6-13(12)14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine?
N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine has a molecular weight of 247.81 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 106457684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).