1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine

C16H31N5 — CID 107041828

IUPAC1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCN(Cc1cn(C)nn1)C1(CN)CCC(CC)CC1
InChIInChI=1S/C16H31N5/c1-4-10-21(12-15-11-20(3)19-18-15)16(13-17)8-6-14(5-2)7-9-16/h11,14H,4-10,12-13,17H2,1-3H3
InChIKeyYOZMMIVGRLIKFL-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.32
Rot. Bonds7

About 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine

1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 107041828) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID107041828
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCN(Cc1cn(C)nn1)C1(CN)CCC(CC)CC1
InChIInChI=1S/C16H31N5/c1-4-10-21(12-15-11-20(3)19-18-15)16(13-17)8-6-14(5-2)7-9-16/h11,14H,4-10,12-13,17H2,1-3H3
InChIKeyYOZMMIVGRLIKFL-UHFFFAOYSA-N
XLogP2.32
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine (CID 107041828) is 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine is CCCN(Cc1cn(C)nn1)C1(CN)CCC(CC)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is YOZMMIVGRLIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-4-10-21(12-15-11-20(3)19-18-15)16(13-17)8-6-14(5-2)7-9-16/h11,14H,4-10,12-13,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine?
1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 293.46 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107041828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).