1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol

C13H28N2O — CID 115718086

IUPAC1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol
SMILESC=CCCC(CCC)NCC(O)CN(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-12(8-6-2)14-10-13(16)11-15(3)4/h5,12-14,16H,1,6-11H2,2-4H3
InChIKeyJUWVLXIIKUFAJQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.63
Rot. Bonds10

About 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol

1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol (PubChem CID 115718086) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol
PubChem CID115718086
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol
SMILESC=CCCC(CCC)NCC(O)CN(C)C
InChIInChI=1S/C13H28N2O/c1-5-7-9-12(8-6-2)14-10-13(16)11-15(3)4/h5,12-14,16H,1,6-11H2,2-4H3
InChIKeyJUWVLXIIKUFAJQ-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-(hexan-3-ylamino)propan-2-ol
CID 62118939
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115721276
1-N,1-N-dimethyl-3-N-propylhept-6-ene-1,3-diamine
CID 115346716
1-(hept-1-en-4-ylamino)propan-2-ol
CID 4712407
1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717053
2-(oct-7-en-4-ylamino)-N-propan-2-ylacetamide
CID 115707624
1-(octan-4-ylamino)propan-2-ol
CID 103775311
N-ethyltridec-1-en-5-amine
CID 104987742
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
CID 61477002
2-(2-hydroxypropylamino)pentan-1-ol
CID 126754645
molecular hydrogen;(2R)-1-N,1-N,2-N-trimethylpentane-1,2-diamine
CID 176920896

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol (CID 115718086) is 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol is C=CCCC(CCC)NCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol?
The InChIKey is JUWVLXIIKUFAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-7-9-12(8-6-2)14-10-13(16)11-15(3)4/h5,12-14,16H,1,6-11H2,2-4H3.
What are the key properties of 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol?
1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(oct-7-en-4-ylamino)propan-2-ol is sourced from PubChem (CID 115718086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).