2-(aminomethyl)-2-butylpropane-1,3-diol

C8H19NO2 — CID 139977749

IUPAC2-(aminomethyl)-2-butylpropane-1,3-diol
SMILESCCCCC(CN)(CO)CO
InChIInChI=1S/C8H19NO2/c1-2-3-4-8(5-9,6-10)7-11/h10-11H,2-7,9H2,1H3
InChIKeyNCRSCNUVBMIJMY-UHFFFAOYSA-N
MW161.24 g/mol
LogP0.11
Rot. Bonds6

About 2-(aminomethyl)-2-butylpropane-1,3-diol

2-(aminomethyl)-2-butylpropane-1,3-diol (PubChem CID 139977749) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 2-(aminomethyl)-2-butylpropane-1,3-diol.

Molecular Properties

Compound Name2-(aminomethyl)-2-butylpropane-1,3-diol
PubChem CID139977749
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name2-(aminomethyl)-2-butylpropane-1,3-diol
SMILESCCCCC(CN)(CO)CO
InChIInChI=1S/C8H19NO2/c1-2-3-4-8(5-9,6-10)7-11/h10-11H,2-7,9H2,1H3
InChIKeyNCRSCNUVBMIJMY-UHFFFAOYSA-N
XLogP0.11
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
2-(aminomethyl)-2-(2-methylpropyl)hexan-1-ol
CID 106507831
2-butyl-2-ethylhexan-1-amine
CID 62725100
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-butyl-2-propylpentane-1,5-diamine
CID 71310126
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2,2-dioctyldecan-1-ol
CID 87374856
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2-butyl-2-ethyldodecan-1-amine
CID 55195465
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-butylpropane-1,3-diol?
The IUPAC name of 2-(aminomethyl)-2-butylpropane-1,3-diol (CID 139977749) is 2-(aminomethyl)-2-butylpropane-1,3-diol.
What is the SMILES notation for 2-(aminomethyl)-2-butylpropane-1,3-diol?
The canonical SMILES for 2-(aminomethyl)-2-butylpropane-1,3-diol is CCCCC(CN)(CO)CO.
What is the InChIKey of 2-(aminomethyl)-2-butylpropane-1,3-diol?
The InChIKey is NCRSCNUVBMIJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-2-3-4-8(5-9,6-10)7-11/h10-11H,2-7,9H2,1H3.
What are the key properties of 2-(aminomethyl)-2-butylpropane-1,3-diol?
2-(aminomethyl)-2-butylpropane-1,3-diol has a molecular weight of 161.24 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-butylpropane-1,3-diol is sourced from PubChem (CID 139977749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).