2-aminoheptane-1,5-diol

C7H17NO2 — CID 130023350

IUPAC2-aminoheptane-1,5-diol
SMILESCCC(O)CCC(N)CO
InChIInChI=1S/C7H17NO2/c1-2-7(10)4-3-6(8)5-9/h6-7,9-10H,2-5,8H2,1H3
InChIKeyROVDPYQQKRWXPZ-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.14
Rot. Bonds5

About 2-aminoheptane-1,5-diol

2-aminoheptane-1,5-diol (PubChem CID 130023350) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-aminoheptane-1,5-diol.

Molecular Properties

Compound Name2-aminoheptane-1,5-diol
PubChem CID130023350
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-aminoheptane-1,5-diol
SMILESCCC(O)CCC(N)CO
InChIInChI=1S/C7H17NO2/c1-2-7(10)4-3-6(8)5-9/h6-7,9-10H,2-5,8H2,1H3
InChIKeyROVDPYQQKRWXPZ-UHFFFAOYSA-N
XLogP-0.14
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride
CID 90120224
3,10-diaminododecane-5,8-diol
CID 165390918
(2S)-2-amino-4-fluorobutan-1-ol
CID 96551535
(2S)-2-aminoundecan-1-ol
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2-aminononadecan-1-ol
CID 87201322
4-aminohexane-1,2-diol
CID 170888613
decane-1,2,8-triol
CID 88722169
4-aminohexane-1,2-diol
CID 18615667
butane-1,2-diol;methane
CID 158754649

Frequently Asked Questions

What is the IUPAC name of 2-aminoheptane-1,5-diol?
The IUPAC name of 2-aminoheptane-1,5-diol (CID 130023350) is 2-aminoheptane-1,5-diol.
What is the SMILES notation for 2-aminoheptane-1,5-diol?
The canonical SMILES for 2-aminoheptane-1,5-diol is CCC(O)CCC(N)CO.
What is the InChIKey of 2-aminoheptane-1,5-diol?
The InChIKey is ROVDPYQQKRWXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-2-7(10)4-3-6(8)5-9/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of 2-aminoheptane-1,5-diol?
2-aminoheptane-1,5-diol has a molecular weight of 147.22 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoheptane-1,5-diol is sourced from PubChem (CID 130023350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).