(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine

C16H30N4 — CID 105038676

IUPAC(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCCC1CCC(C(N)c2cnnn2CCC)CC1
InChIInChI=1S/C16H30N4/c1-3-5-6-13-7-9-14(10-8-13)16(17)15-12-18-19-20(15)11-4-2/h12-14,16H,3-11,17H2,1-2H3
InChIKeyKGMCTAPZDFKSAU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.68
Rot. Bonds7

About (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine

(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038676) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
PubChem CID105038676
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine
SMILESCCCCC1CCC(C(N)c2cnnn2CCC)CC1
InChIInChI=1S/C16H30N4/c1-3-5-6-13-7-9-14(10-8-13)16(17)15-12-18-19-20(15)11-4-2/h12-14,16H,3-11,17H2,1-2H3
InChIKeyKGMCTAPZDFKSAU-UHFFFAOYSA-N
XLogP3.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine
CID 105041317
[(4-propylcyclohexyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105232238
(4-butylcyclohexyl)-(6-methyl-3-pyridinyl)methanamine
CID 115854740
(2-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanamine
CID 105038890
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(4-butylcyclohexyl)-(2,5-difluorophenyl)methanamine
CID 43100104
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
2-cyclopropyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038639
[2-cyclopropyl-1-(3-propyltriazol-4-yl)propyl]hydrazine
CID 105335544
(4-butylcyclohexyl)-(2-fluorophenyl)methanamine
CID 115827979
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
3-cyclopentyl-N-ethyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105038705

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine (CID 105038676) is (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine is CCCCC1CCC(C(N)c2cnnn2CCC)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine?
The InChIKey is KGMCTAPZDFKSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-3-5-6-13-7-9-14(10-8-13)16(17)15-12-18-19-20(15)11-4-2/h12-14,16H,3-11,17H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine?
(4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine has a molecular weight of 278.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).