N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene

C26H53NO — CID 166644636

IUPACN,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C20H43N.C6H10O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-3-5-7-6-4-2/h4-20H2,1-3H3;3-4H,1-2,5-6H2
InChIKeyVVIRPZRXDHHHOZ-UHFFFAOYSA-N
MW395.72 g/mol
LogP8.18
Rot. Bonds21

About N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene

N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene (PubChem CID 166644636) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound NameN,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene
PubChem CID166644636
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC NameN,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C20H43N.C6H10O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-3-5-7-6-4-2/h4-20H2,1-3H3;3-4H,1-2,5-6H2
InChIKeyVVIRPZRXDHHHOZ-UHFFFAOYSA-N
XLogP8.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene?
The IUPAC name of N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene (CID 166644636) is N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CCCCCCCCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene?
The InChIKey is VVIRPZRXDHHHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N.C6H10O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-3-5-7-6-4-2/h4-20H2,1-3H3;3-4H,1-2,5-6H2.
What are the key properties of N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene?
N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene has a molecular weight of 395.72 g/mol, XLogP of 8.18, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctadecan-1-amine;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 166644636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).