4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine

C14H27N5 — CID 107040737

IUPAC4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)Cc2cn(C)nn2)CC1
InChIInChI=1S/C14H27N5/c1-4-9-15-12-5-7-14(8-6-12)18(2)10-13-11-19(3)17-16-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyLECIGKUPIVCGKZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.56
Rot. Bonds6

About 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine (PubChem CID 107040737) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
PubChem CID107040737
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)Cc2cn(C)nn2)CC1
InChIInChI=1S/C14H27N5/c1-4-9-15-12-5-7-14(8-6-12)18(2)10-13-11-19(3)17-16-13/h11-12,14-15H,4-10H2,1-3H3
InChIKeyLECIGKUPIVCGKZ-UHFFFAOYSA-N
XLogP1.56
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine (CID 107040737) is 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)Cc2cn(C)nn2)CC1.
What is the InChIKey of 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is LECIGKUPIVCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-9-15-12-5-7-14(8-6-12)18(2)10-13-11-19(3)17-16-13/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methyltriazol-4-yl)methyl]-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 107040737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).