1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine

C18H37N — CID 158687236

IUPAC1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C)CC1.CC1CCC(NC(C)C)CC1
InChIInChI=1S/C10H21N.C8H16/c1-8(2)11-10-6-4-9(3)5-7-10;1-7-3-5-8(2)6-4-7/h8-11H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyIFWWGWZFBHITLI-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds2

About 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine

1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 158687236) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID158687236
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C)CC1.CC1CCC(NC(C)C)CC1
InChIInChI=1S/C10H21N.C8H16/c1-8(2)11-10-6-4-9(3)5-7-10;1-7-3-5-8(2)6-4-7/h8-11H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3
InChIKeyIFWWGWZFBHITLI-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
N-propan-2-ylcycloheptanamine
CID 42562651
4-N-propan-2-ylcyclohexane-1,4-diamine
CID 23346808
3-N-(4-methylcyclohexyl)butane-2,3-diamine
CID 130573950
ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen
CID 177228203
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318
2-[(4-methylcyclohexyl)amino]propanoic acid
CID 23221764
N-(3,3-difluorobutan-2-yl)-4-methylcyclohexan-1-amine
CID 131161365
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
CID 167000939
4-N,4-N-dimethyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 66569320

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine (CID 158687236) is 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine is CC1CCC(C)CC1.CC1CCC(NC(C)C)CC1.
What is the InChIKey of 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is IFWWGWZFBHITLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C8H16/c1-8(2)11-10-6-4-9(3)5-7-10;1-7-3-5-8(2)6-4-7/h8-11H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine?
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 158687236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).