N-dodecyl-2,4-dimethylcyclohexan-1-amine

C20H41N — CID 63995317

IUPACN-dodecyl-2,4-dimethylcyclohexan-1-amine
SMILESCCCCCCCCCCCCNC1CCC(C)CC1C
InChIInChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-16-21-20-15-14-18(2)17-19(20)3/h18-21H,4-17H2,1-3H3
InChIKeyKUQPRKFHJJEWPR-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.32
Rot. Bonds12

About N-dodecyl-2,4-dimethylcyclohexan-1-amine

N-dodecyl-2,4-dimethylcyclohexan-1-amine (PubChem CID 63995317) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N-dodecyl-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-dodecyl-2,4-dimethylcyclohexan-1-amine
PubChem CID63995317
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN-dodecyl-2,4-dimethylcyclohexan-1-amine
SMILESCCCCCCCCCCCCNC1CCC(C)CC1C
InChIInChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-16-21-20-15-14-18(2)17-19(20)3/h18-21H,4-17H2,1-3H3
InChIKeyKUQPRKFHJJEWPR-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-heptyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43223218
N-(3-cyclohexyloxypropyl)-2,4-dimethylcyclohexan-1-amine
CID 64776416
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
(1R,2S,4R)-2,4-dimethyl-N-[(3R)-3-[(R)-methylsulfinyl]butyl]cyclohexan-1-amine
CID 99854373
N-[2-(cyclopropylmethoxy)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 104531141
5-[(2,4-dimethylcyclohexyl)amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063648
2,4-dimethyl-N-prop-2-ynylcyclohexan-1-amine
CID 63993727
N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine
CID 103460870

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-dodecyl-2,4-dimethylcyclohexan-1-amine (CID 63995317) is N-dodecyl-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-dodecyl-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-dodecyl-2,4-dimethylcyclohexan-1-amine is CCCCCCCCCCCCNC1CCC(C)CC1C.
What is the InChIKey of N-dodecyl-2,4-dimethylcyclohexan-1-amine?
The InChIKey is KUQPRKFHJJEWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-4-5-6-7-8-9-10-11-12-13-16-21-20-15-14-18(2)17-19(20)3/h18-21H,4-17H2,1-3H3.
What are the key properties of N-dodecyl-2,4-dimethylcyclohexan-1-amine?
N-dodecyl-2,4-dimethylcyclohexan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.32, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63995317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).