1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

C15H28N4 — CID 107190904

IUPAC1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)C1CCCCC1(C)C
InChIInChI=1S/C15H28N4/c1-5-10-19-13(11-17-18-19)14(16-4)12-8-6-7-9-15(12,2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGVYOBPGQVRDAKM-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.16
Rot. Bonds5

About 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 107190904) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
PubChem CID107190904
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)C1CCCCC1(C)C
InChIInChI=1S/C15H28N4/c1-5-10-19-13(11-17-18-19)14(16-4)12-8-6-7-9-15(12,2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGVYOBPGQVRDAKM-UHFFFAOYSA-N
XLogP3.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylcyclohexyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 107188799
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107188801
(2,2-dimethylcyclopropyl)-(3-propyltriazol-4-yl)methanol
CID 107005461
[(2,2-dimethylcyclopentyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 107194810
N-methyl-1-(3-propyltriazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105182311
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709
[(2-methylcyclopentyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107194750
N-[(2,2-dimethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 107188792
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191035

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (CID 107190904) is 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is GVYOBPGQVRDAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-10-19-13(11-17-18-19)14(16-4)12-8-6-7-9-15(12,2)3/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 264.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 107190904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).