4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine

C23H44N2 — CID 20567358

IUPAC4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1CC(C(C2CCCCC2)C2CC(C)C(N)C(C)C2)CC(C)C1N
InChIInChI=1S/C23H44N2/c1-14-10-19(11-15(2)22(14)24)21(18-8-6-5-7-9-18)20-12-16(3)23(25)17(4)13-20/h14-23H,5-13,24-25H2,1-4H3
InChIKeyOSXPKGDFRMSEMD-UHFFFAOYSA-N
MW348.62 g/mol
LogP5.20
Rot. Bonds3

About 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine

4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine (PubChem CID 20567358) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine
PubChem CID20567358
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine
SMILESCC1CC(C(C2CCCCC2)C2CC(C)C(N)C(C)C2)CC(C)C1N
InChIInChI=1S/C23H44N2/c1-14-10-19(11-15(2)22(14)24)21(18-8-6-5-7-9-18)20-12-16(3)23(25)17(4)13-20/h14-23H,5-13,24-25H2,1-4H3
InChIKeyOSXPKGDFRMSEMD-UHFFFAOYSA-N
XLogP5.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
dicyclopropylmethylcyclopentane
CID 56984657
[cyclobutyl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105224480
1-cyclopentylethylcyclohexane
CID 57034702
[cyclohexyl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105282131
[(1R)-1-cyclohexylethyl]hydrazine
CID 51585397
1-bromoethylcyclododecane
CID 66471074
2-deuteriopropan-2-ylcyclohexane
CID 153320252
4-iodo-2,6-dimethylcyclohexan-1-amine
CID 171580818
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
[cyclopropyl-(3,4-dimethylcyclohexyl)methyl]hydrazine
CID 105202513

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine (CID 20567358) is 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine is CC1CC(C(C2CCCCC2)C2CC(C)C(N)C(C)C2)CC(C)C1N.
What is the InChIKey of 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine?
The InChIKey is OSXPKGDFRMSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2/c1-14-10-19(11-15(2)22(14)24)21(18-8-6-5-7-9-18)20-12-16(3)23(25)17(4)13-20/h14-23H,5-13,24-25H2,1-4H3.
What are the key properties of 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine?
4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine has a molecular weight of 348.62 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3,5-dimethylcyclohexyl)-cyclohexylmethyl]-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 20567358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).