N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

C16H30N4 — CID 114687454

IUPACN-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CCC(C)CC1
InChIInChI=1S/C16H30N4/c1-4-10-17-16(14-8-6-13(3)7-9-14)15-12-18-19-20(15)11-5-2/h12-14,16-17H,4-11H2,1-3H3
InChIKeyFZKBBHYULANTON-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.56
Rot. Bonds7

About N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine

N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114687454) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114687454
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1CCC)C1CCC(C)CC1
InChIInChI=1S/C16H30N4/c1-4-10-17-16(14-8-6-13(3)7-9-14)15-12-18-19-20(15)11-5-2/h12-14,16-17H,4-11H2,1-3H3
InChIKeyFZKBBHYULANTON-UHFFFAOYSA-N
XLogP3.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-[(4-methylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 63974485
N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
N-[(4-chloro-1-propylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 114649242
N-[(4-methylthiomorpholin-3-yl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 106445341
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
N-[2,3-dihydro-1H-inden-2-yl-(3-propyltriazol-4-yl)methyl]ethanamine
CID 114688139
N-[(1-methylcyclopropyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114688709
[(2-methylcyclopentyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 107194750

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine (CID 114687454) is N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1CCC)C1CCC(C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is FZKBBHYULANTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-10-17-16(14-8-6-13(3)7-9-14)15-12-18-19-20(15)11-5-2/h12-14,16-17H,4-11H2,1-3H3.
What are the key properties of N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine?
N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114687454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).