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

C12H28N2O — CID 107442461

IUPAC3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCC(CN)C(C)C
InChIInChI=1S/C12H28N2O/c1-4-11(5-6-15)8-14-9-12(7-13)10(2)3/h10-12,14-15H,4-9,13H2,1-3H3
InChIKeyCABOXRRWNAXJAT-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.22
Rot. Bonds9

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

3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol (PubChem CID 107442461) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol
PubChem CID107442461
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNCC(CN)C(C)C
InChIInChI=1S/C12H28N2O/c1-4-11(5-6-15)8-14-9-12(7-13)10(2)3/h10-12,14-15H,4-9,13H2,1-3H3
InChIKeyCABOXRRWNAXJAT-UHFFFAOYSA-N
XLogP1.22
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(2R)-2-hydroxypropyl]amino]methyl]pentan-1-ol
CID 106932322
2-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252088
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-[[(2-ethyl-2-hydroxybutyl)amino]methyl]pentan-1-ol
CID 114493384
tert-butyl N-[2-[[2-(2-hydroxyethyl)pentylamino]methyl]-3-methylbutyl]carbamate
CID 106114206
3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
CID 58586497
1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol
CID 106291003
2-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 62515552
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
CID 107441337
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol (CID 107442461) is 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol is CCC(CCO)CNCC(CN)C(C)C.
What is the InChIKey of 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol?
The InChIKey is CABOXRRWNAXJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-4-11(5-6-15)8-14-9-12(7-13)10(2)3/h10-12,14-15H,4-9,13H2,1-3H3.
What are the key properties of 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol?
3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 107442461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).