3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine

C14H29N5 — CID 107049844

IUPAC3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine
SMILESCCCNC(Cc1cn(C)nn1)C(C)(CC)N(C)C
InChIInChI=1S/C14H29N5/c1-7-9-15-13(14(3,8-2)18(4)5)10-12-11-19(6)17-16-12/h11,13,15H,7-10H2,1-6H3
InChIKeyGPCLWOMMJMPMCU-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds8

About 3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine

3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine (PubChem CID 107049844) 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-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine
PubChem CID107049844
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine
SMILESCCCNC(Cc1cn(C)nn1)C(C)(CC)N(C)C
InChIInChI=1S/C14H29N5/c1-7-9-15-13(14(3,8-2)18(4)5)10-12-11-19(6)17-16-12/h11,13,15H,7-10H2,1-6H3
InChIKeyGPCLWOMMJMPMCU-UHFFFAOYSA-N
XLogP1.46
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine
CID 107049899
1-(2,5-dimethylpyrazol-3-yl)-3-N,3-N,3-trimethyl-2-N-propylpentane-2,3-diamine
CID 79064110
5-methyl-1-(1-methyltriazol-4-yl)-N-propylhexan-2-amine
CID 107048801
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107064626
N-[2-(1-methyltriazol-4-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 107049488
6-ethyl-3-N,3-N,3-trimethyl-4-N-propyloctane-3,4-diamine
CID 82922453
N-[1-(2-chloro-4-methylphenyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064044
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
1-(1-methoxycyclobutyl)-3-(1-methyltriazol-4-yl)-N-propylpropan-2-amine
CID 107064405
N-[1-(2,3-dihydro-1H-inden-5-yl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064185

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine?
The IUPAC name of 3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine (CID 107049844) is 3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine.
What is the SMILES notation for 3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine?
The canonical SMILES for 3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine is CCCNC(Cc1cn(C)nn1)C(C)(CC)N(C)C.
What is the InChIKey of 3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine?
The InChIKey is GPCLWOMMJMPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-7-9-15-13(14(3,8-2)18(4)5)10-12-11-19(6)17-16-12/h11,13,15H,7-10H2,1-6H3.
What are the key properties of 3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine?
3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine has a molecular weight of 267.42 g/mol, XLogP of 1.46, 8 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-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine is sourced from PubChem (CID 107049844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).