N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine

C28H54N2 — CID 174680920

IUPACN,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCCCCCCCCCCCCCCC.C=CCNCC=C
InChIInChI=1S/C22H43N.C6H11N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20-5-2)21-6-3;1-3-5-7-6-4-2/h5-6H,2-4,7-22H2,1H3;3-4,7H,1-2,5-6H2
InChIKeyZRAZYXFGQXAOBK-UHFFFAOYSA-N
MW418.75 g/mol
LogP8.09
Rot. Bonds23

About N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine

N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine (PubChem CID 174680920) has the molecular formula C28H54N2 and a molecular weight of 418.75 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
PubChem CID174680920
Molecular FormulaC28H54N2
Molecular Weight418.75 g/mol
Exact Mass418.43
IUPAC NameN,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCCCCCCCCCCCCCCC.C=CCNCC=C
InChIInChI=1S/C22H43N.C6H11N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20-5-2)21-6-3;1-3-5-7-6-4-2/h5-6H,2-4,7-22H2,1H3;3-4,7H,1-2,5-6H2
InChIKeyZRAZYXFGQXAOBK-UHFFFAOYSA-N
XLogP8.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.75
LogP ≤ 58.09
H-Bond Donors ≤ 51
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-bis(prop-2-enyl)undecan-1-amine
CID 10156078
N,N-bis(prop-2-enyl)octadecan-1-amine;hydrochloride
CID 88725807
N',N'-bis(prop-2-enyl)-N-propylbutane-1,4-diamine
CID 62437868
N-prop-2-enyltridecan-1-amine
CID 22467882
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
N-tert-butyl-N',N'-bis(prop-2-enyl)pentane-1,5-diamine
CID 62440076
N-methyl-N-prop-2-enylhexadecan-1-amine
CID 100953658
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N-methyl-N-prop-2-enyloctadecan-1-amine;hydrochloride
CID 173181442
N-benzyl-N-prop-2-enyldodecan-1-amine
CID 67899805
ethyl 2-[hexyl(prop-2-enyl)amino]acetate
CID 79002539
N,N-dipentyltridecan-1-amine
CID 139723521

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine (CID 174680920) is N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCCCCCCCCCCCCCCC.C=CCNCC=C.
What is the InChIKey of N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is ZRAZYXFGQXAOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N.C6H11N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20-5-2)21-6-3;1-3-5-7-6-4-2/h5-6H,2-4,7-22H2,1H3;3-4,7H,1-2,5-6H2.
What are the key properties of N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine?
N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 418.75 g/mol, XLogP of 8.09, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)hexadecan-1-amine;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 174680920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).