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

C22H43N — CID 10448774

IUPACN,N-bis(prop-2-enyl)hexadecan-1-amine
SMILESC=CCN(CC=C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C22H43N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20-5-2)21-6-3/h5-6H,2-4,7-22H2,1H3
InChIKeyFDVMDNBDNHHXAO-UHFFFAOYSA-N
MW321.59 g/mol
LogP7.14
Rot. Bonds19

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

N,N-bis(prop-2-enyl)hexadecan-1-amine (PubChem CID 10448774) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)hexadecan-1-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)hexadecan-1-amine
PubChem CID10448774
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC NameN,N-bis(prop-2-enyl)hexadecan-1-amine
SMILESC=CCN(CC=C)CCCCCCCCCCCCCCCC
InChIInChI=1S/C22H43N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20-5-2)21-6-3/h5-6H,2-4,7-22H2,1H3
InChIKeyFDVMDNBDNHHXAO-UHFFFAOYSA-N
XLogP7.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)hexadecan-1-amine?
The IUPAC name of N,N-bis(prop-2-enyl)hexadecan-1-amine (CID 10448774) is N,N-bis(prop-2-enyl)hexadecan-1-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)hexadecan-1-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)hexadecan-1-amine is C=CCN(CC=C)CCCCCCCCCCCCCCCC.
What is the InChIKey of N,N-bis(prop-2-enyl)hexadecan-1-amine?
The InChIKey is FDVMDNBDNHHXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(20-5-2)21-6-3/h5-6H,2-4,7-22H2,1H3.
What are the key properties of N,N-bis(prop-2-enyl)hexadecan-1-amine?
N,N-bis(prop-2-enyl)hexadecan-1-amine has a molecular weight of 321.59 g/mol, XLogP of 7.14, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)hexadecan-1-amine is sourced from PubChem (CID 10448774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).