3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine

C13H27N5 — CID 62757749

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cn(C)nn1)N(C)C
InChIInChI=1S/C13H27N5/c1-6-11(7-2)13(17(3)4)9-14-8-12-10-18(5)16-15-12/h10-11,13-14H,6-9H2,1-5H3
InChIKeyKKMPVVNHZTXMJQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.27
Rot. Bonds8

About 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine (PubChem CID 62757749) has the molecular formula C13H27N5 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine
PubChem CID62757749
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1cn(C)nn1)N(C)C
InChIInChI=1S/C13H27N5/c1-6-11(7-2)13(17(3)4)9-14-8-12-10-18(5)16-15-12/h10-11,13-14H,6-9H2,1-5H3
InChIKeyKKMPVVNHZTXMJQ-UHFFFAOYSA-N
XLogP1.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054191
3-methoxy-2-methyl-N-[(1-methyltriazol-4-yl)methyl]propan-1-amine
CID 62757060
3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
CID 66176969
3-ethyl-2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentane-1,2-diamine
CID 43210216
N,N-dimethyl-1-[[(1-methyltriazol-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 105415593
2-(2-chloroethyl)-N-[(1-methyltriazol-4-yl)methyl]pentan-1-amine
CID 106117057
3-chloro-N-[(1-methyltriazol-4-yl)methyl]butan-1-amine
CID 107054038
N,N-dimethyl-2-[(1-methyltriazol-4-yl)methylamino]acetamide
CID 62757210
N-[(1-methyltriazol-4-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 55113610
N-methoxy-1-(1-methyltriazol-4-yl)methanamine
CID 82707197
(2S)-2-[(1-methyltriazol-4-yl)methylamino]butan-1-ol
CID 104980852
2-[[[2-(dimethylamino)-3-ethylpentyl]amino]methyl]phenol
CID 43207997

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine (CID 62757749) is 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine is CCC(CC)C(CNCc1cn(C)nn1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine?
The InChIKey is KKMPVVNHZTXMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5/c1-6-11(7-2)13(17(3)4)9-14-8-12-10-18(5)16-15-12/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine has a molecular weight of 253.39 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-[(1-methyltriazol-4-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 62757749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).