2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine

C13H26ClNO — CID 106457899

IUPAC2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)COCCN(C)C1CCCCC1Cl
InChIInChI=1S/C13H26ClNO/c1-11(2)10-16-9-8-15(3)13-7-5-4-6-12(13)14/h11-13H,4-10H2,1-3H3
InChIKeySCDYBQWGUKVLHX-UHFFFAOYSA-N
MW247.81 g/mol
LogP3.14
Rot. Bonds6

About 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine

2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine (PubChem CID 106457899) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
PubChem CID106457899
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)COCCN(C)C1CCCCC1Cl
InChIInChI=1S/C13H26ClNO/c1-11(2)10-16-9-8-15(3)13-7-5-4-6-12(13)14/h11-13H,4-10H2,1-3H3
InChIKeySCDYBQWGUKVLHX-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 53.14
H-Bond Donors ≤ 50
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

2-chloro-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 102637556
2-chloro-N-methyl-N-[2-(trifluoromethoxy)ethyl]cyclohexan-1-amine
CID 102637562
3-Chloro-1-methyl-2-(2-methylpropoxymethyl)piperidine
CID 14209247
N-(2-Chloroethyl)-N-(2-ethoxyethyl)cyclohexanamine
CID 20281062
6-chloro-N-(2-methoxyethyl)-N-pentan-3-ylhexan-1-amine
CID 55053288
6-chloro-N-ethyl-N-(1-methoxypropan-2-yl)hexan-1-amine
CID 62227074
4-(6-Chlorohexyl)-3-methylmorpholine
CID 62228009
6-chloro-N-(1-methoxypropan-2-yl)-N-methylhexan-1-amine
CID 62228205
6-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)hexan-1-amine
CID 62228583
N-butan-2-yl-6-chloro-N-(2-methoxyethyl)hexan-1-amine
CID 62229505
N-(2-chloroethyl)-N-(2-methoxyethyl)cyclohexanamine
CID 63386548
2-(Chloromethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386564

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine (CID 106457899) is 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine is CC(C)COCCN(C)C1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine?
The InChIKey is SCDYBQWGUKVLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c1-11(2)10-16-9-8-15(3)13-7-5-4-6-12(13)14/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine?
2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine has a molecular weight of 247.81 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 106457899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).