1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine

C13H31N3 — CID 142292520

IUPAC1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine
SMILESCCNCC(CC(C)C)C(CCN)N(C)C
InChIInChI=1S/C13H31N3/c1-6-15-10-12(9-11(2)3)13(7-8-14)16(4)5/h11-13,15H,6-10,14H2,1-5H3
InChIKeyZAHPTCGLPSNJDZ-UHFFFAOYSA-N
MW229.41 g/mol
LogP1.54
Rot. Bonds9

About 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine

1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine (PubChem CID 142292520) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine.

Molecular Properties

Compound Name1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine
PubChem CID142292520
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Name1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine
SMILESCCNCC(CC(C)C)C(CCN)N(C)C
InChIInChI=1S/C13H31N3/c1-6-15-10-12(9-11(2)3)13(7-8-14)16(4)5/h11-13,15H,6-10,14H2,1-5H3
InChIKeyZAHPTCGLPSNJDZ-UHFFFAOYSA-N
XLogP1.54
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine
CID 107897106
3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
(2R,3S)-5-amino-3-(dimethylamino)pentan-2-ol
CID 129044459
1-N-ethyl-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 62461668
1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429
(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 97170093
1-N-ethyl-2-N,3-dimethyl-2-N-pentan-3-ylbutane-1,2-diamine
CID 62433170
2-(ethoxymethyl)-N-ethyl-4-methylpentan-1-amine
CID 103984222
4-N,4-N,6-trimethylheptane-1,4-diamine
CID 116905112
3-N,3-N-dimethylhenicosane-1,3,4-triamine
CID 87930078
N-ethyl-2-(2-methylpropyl)decan-1-amine
CID 55194495

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine?
The IUPAC name of 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine (CID 142292520) is 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine.
What is the SMILES notation for 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine?
The canonical SMILES for 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine is CCNCC(CC(C)C)C(CCN)N(C)C.
What is the InChIKey of 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine?
The InChIKey is ZAHPTCGLPSNJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3/c1-6-15-10-12(9-11(2)3)13(7-8-14)16(4)5/h11-13,15H,6-10,14H2,1-5H3.
What are the key properties of 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine?
1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine has a molecular weight of 229.41 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N,3-N-dimethyl-2-(2-methylpropyl)pentane-1,3,5-triamine is sourced from PubChem (CID 142292520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).