N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine

C13H25N5 — CID 107041752

IUPACN'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
SMILESCn1cc(CN(CCCN)C2CCCCC2)nn1
InChIInChI=1S/C13H25N5/c1-17-10-12(15-16-17)11-18(9-5-8-14)13-6-3-2-4-7-13/h10,13H,2-9,11,14H2,1H3
InChIKeyLXUBWVNJGXQWIE-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.30
Rot. Bonds6

About N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine

N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 107041752) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
PubChem CID107041752
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
SMILESCn1cc(CN(CCCN)C2CCCCC2)nn1
InChIInChI=1S/C13H25N5/c1-17-10-12(15-16-17)11-18(9-5-8-14)13-6-3-2-4-7-13/h10,13H,2-9,11,14H2,1H3
InChIKeyLXUBWVNJGXQWIE-UHFFFAOYSA-N
XLogP1.30
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclohexyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62127404
3-[cyclopropyl-[(1-methyltriazol-4-yl)methyl]amino]propanethioamide
CID 107042943
N'-ethyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine
CID 107041743
2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107045279
N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152591
N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine
CID 61481667
2-amino-1-[4-[4-[[cycloheptyl(ethyl)amino]methyl]triazol-1-yl]piperidin-1-yl]ethanone
CID 46997089
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine (CID 107041752) is N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine is Cn1cc(CN(CCCN)C2CCCCC2)nn1.
What is the InChIKey of N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is LXUBWVNJGXQWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-17-10-12(15-16-17)11-18(9-5-8-14)13-6-3-2-4-7-13/h10,13H,2-9,11,14H2,1H3.
What are the key properties of N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine?
N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-[(1-methyltriazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 107041752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).