5-amino-4-(aminomethyl)pentan-1-ol

C6H16N2O — CID 89213757

IUPAC5-amino-4-(aminomethyl)pentan-1-ol
SMILESNCC(CN)CCCO
InChIInChI=1S/C6H16N2O/c7-4-6(5-8)2-1-3-9/h6,9H,1-5,7-8H2
InChIKeyNDWGTHRZLAJMSD-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.71
Rot. Bonds5

About 5-amino-4-(aminomethyl)pentan-1-ol

5-amino-4-(aminomethyl)pentan-1-ol (PubChem CID 89213757) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 5-amino-4-(aminomethyl)pentan-1-ol.

Molecular Properties

Compound Name5-amino-4-(aminomethyl)pentan-1-ol
PubChem CID89213757
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name5-amino-4-(aminomethyl)pentan-1-ol
SMILESNCC(CN)CCCO
InChIInChI=1S/C6H16N2O/c7-4-6(5-8)2-1-3-9/h6,9H,1-5,7-8H2
InChIKeyNDWGTHRZLAJMSD-UHFFFAOYSA-N
XLogP-0.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-ethylhexane-1,6-diol
CID 118889856
2-butylpropane-1,3-diamine;ethane
CID 142824010
3,6-diethylnonane-1,9-diol
CID 19787583
(4R)-6-aminohexane-1,4-diol
CID 89292424
(3S)-3-(aminomethyl)hexan-1-ol
CID 95566845
4-heptadecylheptane-1,7-diol
CID 54374368
8-aminooctane-1,4-diol
CID 123424341
4-hexyldodecan-1-ol
CID 23212981
2-(hydroxymethyl)nonadecane-1,19-diol
CID 18361656
2-butylhexan-1-amine
CID 54041151
4-aminononane-1,9-diol
CID 54004768
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(aminomethyl)pentan-1-ol?
The IUPAC name of 5-amino-4-(aminomethyl)pentan-1-ol (CID 89213757) is 5-amino-4-(aminomethyl)pentan-1-ol.
What is the SMILES notation for 5-amino-4-(aminomethyl)pentan-1-ol?
The canonical SMILES for 5-amino-4-(aminomethyl)pentan-1-ol is NCC(CN)CCCO.
What is the InChIKey of 5-amino-4-(aminomethyl)pentan-1-ol?
The InChIKey is NDWGTHRZLAJMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c7-4-6(5-8)2-1-3-9/h6,9H,1-5,7-8H2.
What are the key properties of 5-amino-4-(aminomethyl)pentan-1-ol?
5-amino-4-(aminomethyl)pentan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(aminomethyl)pentan-1-ol is sourced from PubChem (CID 89213757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).