2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol

C13H30N2O — CID 106252088

IUPAC2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC(CN)C(C)C
InChIInChI=1S/C13H30N2O/c1-5-13(6-2,10-16)9-15-8-12(7-14)11(3)4/h11-12,15-16H,5-10,14H2,1-4H3
InChIKeyGMARFIGTEASDQV-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.61
Rot. Bonds9

About 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol

2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106252088) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol
PubChem CID106252088
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCC(CN)C(C)C
InChIInChI=1S/C13H30N2O/c1-5-13(6-2,10-16)9-15-8-12(7-14)11(3)4/h11-12,15-16H,5-10,14H2,1-4H3
InChIKeyGMARFIGTEASDQV-UHFFFAOYSA-N
XLogP1.61
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol
CID 107442461
1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol
CID 106291003
2-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106256034
2-ethyl-2-[[(2-ethyl-2-hydroxybutyl)amino]methyl]butan-1-ol
CID 81418454
3-ethyl-3-[(2-methylpentylamino)methyl]pentan-1-ol
CID 115907883
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
CID 107441337
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylacetamide
CID 81412872
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol (CID 106252088) is 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCC(CN)C(C)C.
What is the InChIKey of 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is GMARFIGTEASDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-13(6-2,10-16)9-15-8-12(7-14)11(3)4/h11-12,15-16H,5-10,14H2,1-4H3.
What are the key properties of 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol?
2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106252088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).