N,N-didodecyldodecan-1-amine;hexan-1-ol

C42H89NO — CID 90010873

IUPACN,N-didodecyldodecan-1-amine;hexan-1-ol
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCO
InChIInChI=1S/C36H75N.C6H14O/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7/h4-36H2,1-3H3;7H,2-6H2,1H3
InChIKeyOUVWEOXSGQRTCN-UHFFFAOYSA-N
MW624.18 g/mol
LogP14.61
Rot. Bonds37

About N,N-didodecyldodecan-1-amine;hexan-1-ol

N,N-didodecyldodecan-1-amine;hexan-1-ol (PubChem CID 90010873) has the molecular formula C42H89NO and a molecular weight of 624.18 g/mol. Its IUPAC name is N,N-didodecyldodecan-1-amine;hexan-1-ol.

Molecular Properties

Compound NameN,N-didodecyldodecan-1-amine;hexan-1-ol
PubChem CID90010873
Molecular FormulaC42H89NO
Molecular Weight624.18 g/mol
Exact Mass623.69
IUPAC NameN,N-didodecyldodecan-1-amine;hexan-1-ol
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCO
InChIInChI=1S/C36H75N.C6H14O/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7/h4-36H2,1-3H3;7H,2-6H2,1H3
InChIKeyOUVWEOXSGQRTCN-UHFFFAOYSA-N
XLogP14.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.18
LogP ≤ 514.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974
12-[12-hydroxydodecyl(octyl)amino]dodecan-1-ol
CID 102117988
5-(dihexylamino)pentan-1-ol
CID 22218544
6-(dibutylamino)hexan-1-ol
CID 22218557
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
3-[decyl(propyl)amino]propan-1-ol
CID 13122229

Frequently Asked Questions

What is the IUPAC name of N,N-didodecyldodecan-1-amine;hexan-1-ol?
The IUPAC name of N,N-didodecyldodecan-1-amine;hexan-1-ol (CID 90010873) is N,N-didodecyldodecan-1-amine;hexan-1-ol.
What is the SMILES notation for N,N-didodecyldodecan-1-amine;hexan-1-ol?
The canonical SMILES for N,N-didodecyldodecan-1-amine;hexan-1-ol is CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCO.
What is the InChIKey of N,N-didodecyldodecan-1-amine;hexan-1-ol?
The InChIKey is OUVWEOXSGQRTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H75N.C6H14O/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7/h4-36H2,1-3H3;7H,2-6H2,1H3.
What are the key properties of N,N-didodecyldodecan-1-amine;hexan-1-ol?
N,N-didodecyldodecan-1-amine;hexan-1-ol has a molecular weight of 624.18 g/mol, XLogP of 14.61, 37 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didodecyldodecan-1-amine;hexan-1-ol is sourced from PubChem (CID 90010873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).