1-[di(nonadecyl)amino]propan-1-ol

C41H85NO — CID 87359207

IUPAC1-[di(nonadecyl)amino]propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCC)C(O)CC
InChIInChI=1S/C41H85NO/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(41(43)6-3)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h41,43H,4-40H2,1-3H3
InChIKeyLTGWPLRRDQAYGZ-UHFFFAOYSA-N
MW608.14 g/mol
LogP14.32
Rot. Bonds38

About 1-[di(nonadecyl)amino]propan-1-ol

1-[di(nonadecyl)amino]propan-1-ol (PubChem CID 87359207) has the molecular formula C41H85NO and a molecular weight of 608.14 g/mol. Its IUPAC name is 1-[di(nonadecyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-[di(nonadecyl)amino]propan-1-ol
PubChem CID87359207
Molecular FormulaC41H85NO
Molecular Weight608.14 g/mol
Exact Mass607.66
IUPAC Name1-[di(nonadecyl)amino]propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCC)C(O)CC
InChIInChI=1S/C41H85NO/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(41(43)6-3)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h41,43H,4-40H2,1-3H3
InChIKeyLTGWPLRRDQAYGZ-UHFFFAOYSA-N
XLogP14.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.14
LogP ≤ 514.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
1-[decyl(methyl)amino]propan-1-ol;hydrochloride
CID 175358956
1-(dibutylamino)butan-1-ol
CID 19802147
1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine
CID 152588936
1-[butyl-[3-[dimethoxy(methyl)silyl]propyl]amino]propan-1-ol
CID 174604281
N-octyl-N-(1-phosphanylethyl)octan-1-amine
CID 21437049
lithium 2-(dihexadecylamino)butanoate
CID 101313925
sodium 2-[di(nonyl)amino]butanoate
CID 101313824
icosan-3-ol
CID 14940768
N'-heptyl-N'-pentan-3-ylethane-1,2-diamine
CID 63760495

Frequently Asked Questions

What is the IUPAC name of 1-[di(nonadecyl)amino]propan-1-ol?
The IUPAC name of 1-[di(nonadecyl)amino]propan-1-ol (CID 87359207) is 1-[di(nonadecyl)amino]propan-1-ol.
What is the SMILES notation for 1-[di(nonadecyl)amino]propan-1-ol?
The canonical SMILES for 1-[di(nonadecyl)amino]propan-1-ol is CCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCCC)C(O)CC.
What is the InChIKey of 1-[di(nonadecyl)amino]propan-1-ol?
The InChIKey is LTGWPLRRDQAYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H85NO/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42(41(43)6-3)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h41,43H,4-40H2,1-3H3.
What are the key properties of 1-[di(nonadecyl)amino]propan-1-ol?
1-[di(nonadecyl)amino]propan-1-ol has a molecular weight of 608.14 g/mol, XLogP of 14.32, 38 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(nonadecyl)amino]propan-1-ol is sourced from PubChem (CID 87359207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).