4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine

C12H22N4 — CID 62709177

IUPAC4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(NCc2ncn[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-9(2)10-3-5-11(6-4-10)13-7-12-14-8-15-16-12/h8-11,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVQWNRIWDRSWWHN-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.11
Rot. Bonds4

About 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine

4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 62709177) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID62709177
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
SMILESCC(C)C1CCC(NCc2ncn[nH]2)CC1
InChIInChI=1S/C12H22N4/c1-9(2)10-3-5-11(6-4-10)13-7-12-14-8-15-16-12/h8-11,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVQWNRIWDRSWWHN-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-1,2,4-triazol-5-ylmethyl)cycloheptanamine
CID 60978223
3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine
CID 106872008
3-propan-2-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]cyclobutan-1-amine
CID 103561977
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703899
N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54884743
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
2,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclobutan-1-amine
CID 130554368
N,N-dimethyl-2-[4-(1H-1,2,4-triazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 54885071
2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxolan-3-amine
CID 82727643
tert-butyl 3-(1H-1,2,4-triazol-5-ylmethylamino)azetidine-1-carboxylate
CID 55205937
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexanamine
CID 64545973
4-propan-2-yl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
CID 65087684

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine (CID 62709177) is 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine is CC(C)C1CCC(NCc2ncn[nH]2)CC1.
What is the InChIKey of 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is VQWNRIWDRSWWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)10-3-5-11(6-4-10)13-7-12-14-8-15-16-12/h8-11,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine?
4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62709177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).