2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine

C14H29N5 — CID 107049899

IUPAC2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine
SMILESCCNC(Cc1cn(C)nn1)C(CC)(CC)N(C)C
InChIInChI=1S/C14H29N5/c1-7-14(8-2,18(4)5)13(15-9-3)10-12-11-19(6)17-16-12/h11,13,15H,7-10H2,1-6H3
InChIKeyAPAHORPZOGJGJL-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds8

About 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine

2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine (PubChem CID 107049899) has the molecular formula C14H29N5 and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine
PubChem CID107049899
Molecular FormulaC14H29N5
Molecular Weight267.42 g/mol
Exact Mass267.24
IUPAC Name2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine
SMILESCCNC(Cc1cn(C)nn1)C(CC)(CC)N(C)C
InChIInChI=1S/C14H29N5/c1-7-14(8-2,18(4)5)13(15-9-3)10-12-11-19(6)17-16-12/h11,13,15H,7-10H2,1-6H3
InChIKeyAPAHORPZOGJGJL-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

3-N,3-N,3-trimethyl-1-(1-methyltriazol-4-yl)-2-N-propylpentane-2,3-diamine
CID 107049844
N-ethyl-3-methyl-1-(1-methyltriazol-4-yl)pentan-2-amine
CID 107049210
1,1,1-trifluoro-N-methyl-3-(1-methyltriazol-4-yl)propan-2-amine
CID 107064626
1-(4-bromophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107048451
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049504
1-(3,5-difluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 105406535
3-ethyl-N-[(1-methyltriazol-4-yl)methyl]pentan-3-amine
CID 65039892
N-ethyl-1-(4-methylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063909
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063898
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107050517
1-(2-amino-3-pyridinyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062404
N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 107063738

Frequently Asked Questions

What is the IUPAC name of 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine?
The IUPAC name of 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine (CID 107049899) is 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine.
What is the SMILES notation for 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine?
The canonical SMILES for 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine is CCNC(Cc1cn(C)nn1)C(CC)(CC)N(C)C.
What is the InChIKey of 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine?
The InChIKey is APAHORPZOGJGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5/c1-7-14(8-2,18(4)5)13(15-9-3)10-12-11-19(6)17-16-12/h11,13,15H,7-10H2,1-6H3.
What are the key properties of 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine?
2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-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 2-N,3-diethyl-3-N,3-N-dimethyl-1-(1-methyltriazol-4-yl)pentane-2,3-diamine is sourced from PubChem (CID 107049899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).