N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine

C12H22N4 — CID 153319102

IUPACN-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(n2ccnn2)CC1
InChIInChI=1S/C12H22N4/c1-10(2)13-9-11-3-5-12(6-4-11)16-8-7-14-15-16/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyFYPSAMJBZIDVJV-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.01
Rot. Bonds4

About N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine

N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine (PubChem CID 153319102) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine
PubChem CID153319102
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(n2ccnn2)CC1
InChIInChI=1S/C12H22N4/c1-10(2)13-9-11-3-5-12(6-4-11)16-8-7-14-15-16/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyFYPSAMJBZIDVJV-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine (CID 153319102) is N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCC(n2ccnn2)CC1.
What is the InChIKey of N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is FYPSAMJBZIDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)13-9-11-3-5-12(6-4-11)16-8-7-14-15-16/h7-8,10-13H,3-6,9H2,1-2H3.
What are the key properties of N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine?
N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 222.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(triazol-1-yl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 153319102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).