N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine

C14H26N4 — CID 72866390

IUPACN-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ncnn1CC1CCCCC1
InChIInChI=1S/C14H26N4/c1-12(2)17(3)10-14-15-11-16-18(14)9-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyKBOPVUFXNXSAFY-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.70
Rot. Bonds5

About N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine

N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine (PubChem CID 72866390) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine
PubChem CID72866390
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1ncnn1CC1CCCCC1
InChIInChI=1S/C14H26N4/c1-12(2)17(3)10-14-15-11-16-18(14)9-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyKBOPVUFXNXSAFY-UHFFFAOYSA-N
XLogP2.70
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine (CID 72866390) is N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1ncnn1CC1CCCCC1.
What is the InChIKey of N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is KBOPVUFXNXSAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)17(3)10-14-15-11-16-18(14)9-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3.
What are the key properties of N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine?
N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 72866390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).