1-amino-3-(aminomethyl)heptan-3-ol

C8H20N2O — CID 141174970

IUPAC1-amino-3-(aminomethyl)heptan-3-ol
SMILESCCCCC(O)(CN)CCN
InChIInChI=1S/C8H20N2O/c1-2-3-4-8(11,7-10)5-6-9/h11H,2-7,9-10H2,1H3
InChIKeyUXSVELUWMTUDFA-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.22
Rot. Bonds6

About 1-amino-3-(aminomethyl)heptan-3-ol

1-amino-3-(aminomethyl)heptan-3-ol (PubChem CID 141174970) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-amino-3-(aminomethyl)heptan-3-ol.

Molecular Properties

Compound Name1-amino-3-(aminomethyl)heptan-3-ol
PubChem CID141174970
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-amino-3-(aminomethyl)heptan-3-ol
SMILESCCCCC(O)(CN)CCN
InChIInChI=1S/C8H20N2O/c1-2-3-4-8(11,7-10)5-6-9/h11H,2-7,9-10H2,1H3
InChIKeyUXSVELUWMTUDFA-UHFFFAOYSA-N
XLogP0.22
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 87248679
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CID 88986362
5-(phosphanylmethyl)nonan-5-ol
CID 140650139
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
2-butyltetradecane-1,2-diol
CID 88924076
4-butyl-4-hydroxyoctanamide
CID 139781323
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
2-butyl-2-propylpentane-1,5-diamine
CID 71310126
1-aminooctadecane-2,2-diol
CID 87604063

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(aminomethyl)heptan-3-ol?
The IUPAC name of 1-amino-3-(aminomethyl)heptan-3-ol (CID 141174970) is 1-amino-3-(aminomethyl)heptan-3-ol.
What is the SMILES notation for 1-amino-3-(aminomethyl)heptan-3-ol?
The canonical SMILES for 1-amino-3-(aminomethyl)heptan-3-ol is CCCCC(O)(CN)CCN.
What is the InChIKey of 1-amino-3-(aminomethyl)heptan-3-ol?
The InChIKey is UXSVELUWMTUDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-2-3-4-8(11,7-10)5-6-9/h11H,2-7,9-10H2,1H3.
What are the key properties of 1-amino-3-(aminomethyl)heptan-3-ol?
1-amino-3-(aminomethyl)heptan-3-ol has a molecular weight of 160.26 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(aminomethyl)heptan-3-ol is sourced from PubChem (CID 141174970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).