4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine

C12H24ClNO — CID 103037173

IUPAC4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
SMILESCOC(C)(C)CCNC1CCC(Cl)CC1
InChIInChI=1S/C12H24ClNO/c1-12(2,15-3)8-9-14-11-6-4-10(13)5-7-11/h10-11,14H,4-9H2,1-3H3
InChIKeyWPCDTSCOFINHLO-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.94
Rot. Bonds5

About 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine

4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine (PubChem CID 103037173) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
PubChem CID103037173
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
SMILESCOC(C)(C)CCNC1CCC(Cl)CC1
InChIInChI=1S/C12H24ClNO/c1-12(2,15-3)8-9-14-11-6-4-10(13)5-7-11/h10-11,14H,4-9H2,1-3H3
InChIKeyWPCDTSCOFINHLO-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106675122
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019940
1-cyclopropyl-N-(3-methoxy-3-methylbutyl)piperidin-4-amine
CID 106675336
2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone
CID 106675338
tert-butyl 3-[(3-methoxy-3-methylbutyl)amino]azepane-1-carboxylate
CID 107249434
N-(3-methoxy-3-methylbutyl)-1-methylpiperidin-3-amine
CID 106675409
N-(3-methoxy-3-methylbutyl)-2,2-dimethylcyclopropan-1-amine
CID 103033275
N-(3-methoxy-3-methylbutyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 103033505
N-[3-(cyclopropylamino)propyl]-3-methoxy-3-methylbutanamide
CID 103021358
N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
CID 103036979
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447
N-ethyl-3-(3-methoxy-3-methylbutyl)cyclopentan-1-amine
CID 103037532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine?
The IUPAC name of 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine (CID 103037173) is 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine is COC(C)(C)CCNC1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine?
The InChIKey is WPCDTSCOFINHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-12(2,15-3)8-9-14-11-6-4-10(13)5-7-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine?
4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine has a molecular weight of 233.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 103037173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).