3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine

C14H29N5 — CID 79063621

IUPAC3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine
SMILESCCC(C)(C(N)Cc1ncnn1CC(C)C)N(C)C
InChIInChI=1S/C14H29N5/c1-7-14(4,18(5)6)12(15)8-13-16-10-17-19(13)9-11(2)3/h10-12H,7-9,15H2,1-6H3
InChIKeyVFYSJLXRBNWGPP-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.53
Rot. Bonds7

About 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine

3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine (PubChem CID 79063621) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine
PubChem CID79063621
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine
SMILESCCC(C)(C(N)Cc1ncnn1CC(C)C)N(C)C
InChIInChI=1S/C14H29N5/c1-7-14(4,18(5)6)12(15)8-13-16-10-17-19(13)9-11(2)3/h10-12H,7-9,15H2,1-6H3
InChIKeyVFYSJLXRBNWGPP-UHFFFAOYSA-N
XLogP1.53
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine with MolForge

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Related Compounds

5,5-dimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-amine
CID 114211589
3-(dimethylamino)-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 79052168
N,N-diethyl-3-hydrazinyl-2-methyl-4-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 105239298
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-1,2,4-triazole
CID 58157944
3-ethyl-3-methoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-ol
CID 116752928
1-[1-(2-methylpropyl)cyclopentyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 104999937
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ylhydrazine
CID 105201026
3-amino-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 116590520
2-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-ol
CID 66059154
3,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 104997860
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-amine
CID 105000061
[3-ethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-yl]hydrazine
CID 105317619

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine?
The IUPAC name of 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine (CID 79063621) is 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine?
The canonical SMILES for 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine is CCC(C)(C(N)Cc1ncnn1CC(C)C)N(C)C.
What is the InChIKey of 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine?
The InChIKey is VFYSJLXRBNWGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-7-14(4,18(5)6)12(15)8-13-16-10-17-19(13)9-11(2)3/h10-12H,7-9,15H2,1-6H3.
What are the key properties of 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine?
3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine has a molecular weight of 267.42 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,3-trimethyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentane-2,3-diamine is sourced from PubChem (CID 79063621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).