1-(1-aminoethylamino)heptan-3-ol

C9H22N2O — CID 140711630

IUPAC1-(1-aminoethylamino)heptan-3-ol
SMILESCCCCC(O)CCNC(C)N
InChIInChI=1S/C9H22N2O/c1-3-4-5-9(12)6-7-11-8(2)10/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyGERWAPUDZLZUOP-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.82
Rot. Bonds7

About 1-(1-aminoethylamino)heptan-3-ol

1-(1-aminoethylamino)heptan-3-ol (PubChem CID 140711630) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-(1-aminoethylamino)heptan-3-ol.

Molecular Properties

Compound Name1-(1-aminoethylamino)heptan-3-ol
PubChem CID140711630
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-(1-aminoethylamino)heptan-3-ol
SMILESCCCCC(O)CCNC(C)N
InChIInChI=1S/C9H22N2O/c1-3-4-5-9(12)6-7-11-8(2)10/h8-9,11-12H,3-7,10H2,1-2H3
InChIKeyGERWAPUDZLZUOP-UHFFFAOYSA-N
XLogP0.82
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-aminoethylamino)octan-3-ol
CID 140711659
2-aminononan-5-ol
CID 123577589
1-N'-pentylethane-1,1-diamine
CID 87708859
CID 172776718
CID 172776718
1-N'-nonylethane-1,1-diamine
CID 141374358
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191
icosane-5,11-diol
CID 170722582
icosane-5,10-diol
CID 170722579
1-N'-propylethane-1,1-diamine;hydrochloride
CID 140981166
octadecane-2,14-diol
CID 170722506
octadecane-5,9,10,14-tetrol
CID 123917796

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylamino)heptan-3-ol?
The IUPAC name of 1-(1-aminoethylamino)heptan-3-ol (CID 140711630) is 1-(1-aminoethylamino)heptan-3-ol.
What is the SMILES notation for 1-(1-aminoethylamino)heptan-3-ol?
The canonical SMILES for 1-(1-aminoethylamino)heptan-3-ol is CCCCC(O)CCNC(C)N.
What is the InChIKey of 1-(1-aminoethylamino)heptan-3-ol?
The InChIKey is GERWAPUDZLZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-3-4-5-9(12)6-7-11-8(2)10/h8-9,11-12H,3-7,10H2,1-2H3.
What are the key properties of 1-(1-aminoethylamino)heptan-3-ol?
1-(1-aminoethylamino)heptan-3-ol has a molecular weight of 174.29 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylamino)heptan-3-ol is sourced from PubChem (CID 140711630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).