N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

C14H26N4 — CID 65243324

IUPACN-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCCc1nc(CC2(NC)CCCCC2)n(C)n1
InChIInChI=1S/C14H26N4/c1-4-8-12-16-13(18(3)17-12)11-14(15-2)9-6-5-7-10-14/h15H,4-11H2,1-3H3
InChIKeyROUDHPAWFWLSFR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.23
Rot. Bonds5

About N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine

N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 65243324) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID65243324
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCCc1nc(CC2(NC)CCCCC2)n(C)n1
InChIInChI=1S/C14H26N4/c1-4-8-12-16-13(18(3)17-12)11-14(15-2)9-6-5-7-10-14/h15H,4-11H2,1-3H3
InChIKeyROUDHPAWFWLSFR-UHFFFAOYSA-N
XLogP2.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine (CID 65243324) is N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is CCCc1nc(CC2(NC)CCCCC2)n(C)n1.
What is the InChIKey of N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is ROUDHPAWFWLSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-8-12-16-13(18(3)17-12)11-14(15-2)9-6-5-7-10-14/h15H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine?
N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methyl-5-propyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 65243324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).