(Z)-1-(3-aminopropylamino)octadec-9-en-3-ol

C21H44N2O — CID 139760257

IUPAC(Z)-1-(3-aminopropylamino)octadec-9-en-3-ol
SMILESCCCCCCCC/C=C\CCCCCC(O)CCNCCCN
InChIInChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)17-20-23-19-15-18-22/h9-10,21,23-24H,2-8,11-20,22H2,1H3/b10-9-
InChIKeyQGAZCARIFRSUMM-KTKRTIGZSA-N
MW340.60 g/mol
LogP4.93
Rot. Bonds19

About (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol

(Z)-1-(3-aminopropylamino)octadec-9-en-3-ol (PubChem CID 139760257) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol.

Molecular Properties

Compound Name(Z)-1-(3-aminopropylamino)octadec-9-en-3-ol
PubChem CID139760257
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Name(Z)-1-(3-aminopropylamino)octadec-9-en-3-ol
SMILESCCCCCCCC/C=C\CCCCCC(O)CCNCCCN
InChIInChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)17-20-23-19-15-18-22/h9-10,21,23-24H,2-8,11-20,22H2,1H3/b10-9-
InChIKeyQGAZCARIFRSUMM-KTKRTIGZSA-N
XLogP4.93
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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3-(Octadec-9-enylamino)pentane-1,5-diol
CID 3025005
(E)-18-aminooctadec-9-en-7-ol
CID 23105251
(7R)-18-(octadec-9-enylamino)octadec-9-en-7-ol
CID 53644720
1-Amino-2-(2-aminoethylamino)icos-11-en-3-ol
CID 54137506
3-(Octadec-9-enylamino)propan-1-ol
CID 54144567
(7R)-18-aminooctadec-9-en-7-ol
CID 54304535
2-(Octadec-9-enylamino)octadecane-1,3-diol
CID 54316909
3-[1-[Bis(3-hydroxypropyl)amino]henicos-12-en-3-ylamino]propan-1-ol
CID 56610642

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol?
The IUPAC name of (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol (CID 139760257) is (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol.
What is the SMILES notation for (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol?
The canonical SMILES for (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol is CCCCCCCC/C=C\CCCCCC(O)CCNCCCN.
What is the InChIKey of (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol?
The InChIKey is QGAZCARIFRSUMM-KTKRTIGZSA-N. The full InChI is InChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)17-20-23-19-15-18-22/h9-10,21,23-24H,2-8,11-20,22H2,1H3/b10-9-.
What are the key properties of (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol?
(Z)-1-(3-aminopropylamino)octadec-9-en-3-ol has a molecular weight of 340.60 g/mol, XLogP of 4.93, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-aminopropylamino)octadec-9-en-3-ol is sourced from PubChem (CID 139760257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).