1,3-diaminoheptan-2-ol

C7H18N2O — CID 23346836

IUPAC1,3-diaminoheptan-2-ol
SMILESCCCCC(N)C(O)CN
InChIInChI=1S/C7H18N2O/c1-2-3-4-6(9)7(10)5-8/h6-7,10H,2-5,8-9H2,1H3
InChIKeyANHNHADOAOTGNS-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.18
Rot. Bonds5

About 1,3-diaminoheptan-2-ol

1,3-diaminoheptan-2-ol (PubChem CID 23346836) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 1,3-diaminoheptan-2-ol.

Molecular Properties

Compound Name1,3-diaminoheptan-2-ol
PubChem CID23346836
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name1,3-diaminoheptan-2-ol
SMILESCCCCC(N)C(O)CN
InChIInChI=1S/C7H18N2O/c1-2-3-4-6(9)7(10)5-8/h6-7,10H,2-5,8-9H2,1H3
InChIKeyANHNHADOAOTGNS-UHFFFAOYSA-N
XLogP-0.18
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-1-fluoroheptan-2-ol
CID 122585066
13-aminoheptacosan-12-ol
CID 118194809
10,18-diaminooctadecan-9-ol
CID 19842914
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469
1-chlorohexane-1,2-diamine
CID 151875829
1-amino-2-hydroxynonane-3-sulfonic acid
CID 141131819
(2S)-2-aminoheptane-1,1-diol
CID 166719915
(4S,5S)-4-aminotridecan-5-ol
CID 10584805
3-aminooctan-2-ol
CID 14271184
3-aminononane-1,4-diol
CID 87704254
2-(2-methylpropyl)heptane-1,3-diamine
CID 20848283
3-amino-1,1,1-trifluoroheptan-2-ol
CID 22121539

Frequently Asked Questions

What is the IUPAC name of 1,3-diaminoheptan-2-ol?
The IUPAC name of 1,3-diaminoheptan-2-ol (CID 23346836) is 1,3-diaminoheptan-2-ol.
What is the SMILES notation for 1,3-diaminoheptan-2-ol?
The canonical SMILES for 1,3-diaminoheptan-2-ol is CCCCC(N)C(O)CN.
What is the InChIKey of 1,3-diaminoheptan-2-ol?
The InChIKey is ANHNHADOAOTGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-2-3-4-6(9)7(10)5-8/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of 1,3-diaminoheptan-2-ol?
1,3-diaminoheptan-2-ol has a molecular weight of 146.23 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaminoheptan-2-ol is sourced from PubChem (CID 23346836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).