4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine

C14H26N4 — CID 113412521

IUPAC4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(NCCCn2ccnn2)CC1
InChIInChI=1S/C14H26N4/c1-12(2)13-4-6-14(7-5-13)15-8-3-10-18-11-9-16-17-18/h9,11-15H,3-8,10H2,1-2H3
InChIKeyRQLAEARXHBAQAR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.47
Rot. Bonds6

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

4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine (PubChem CID 113412521) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine
PubChem CID113412521
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine
SMILESCC(C)C1CCC(NCCCn2ccnn2)CC1
InChIInChI=1S/C14H26N4/c1-12(2)13-4-6-14(7-5-13)15-8-3-10-18-11-9-16-17-18/h9,11-15H,3-8,10H2,1-2H3
InChIKeyRQLAEARXHBAQAR-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(triazol-1-yl)propylamino]piperidine-1-carboxamide
CID 113412516
2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine
CID 113412524
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 106932503
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 113412895
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N'-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 62707679
N-[2-(cycloheptylamino)ethyl]-3-(triazol-1-yl)propanamide
CID 81482627
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
2,2-dimethyl-N-[2-(triazol-1-yl)ethyl]-1,3-dioxan-5-amine
CID 106658992
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine (CID 113412521) is 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine is CC(C)C1CCC(NCCCn2ccnn2)CC1.
What is the InChIKey of 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine?
The InChIKey is RQLAEARXHBAQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)13-4-6-14(7-5-13)15-8-3-10-18-11-9-16-17-18/h9,11-15H,3-8,10H2,1-2H3.
What are the key properties of 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine?
4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[3-(triazol-1-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 113412521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).