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

C18H35N — CID 3804938

IUPACN,N-bis(prop-2-enyl)dodecan-1-amine
SMILESC=CCN(CC=C)CCCCCCCCCCCC
InChIInChI=1S/C18H35N/c1-4-7-8-9-10-11-12-13-14-15-18-19(16-5-2)17-6-3/h5-6H,2-4,7-18H2,1H3
InChIKeyCMQARNDWULTILC-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.58
Rot. Bonds15

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

N,N-bis(prop-2-enyl)dodecan-1-amine (PubChem CID 3804938) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)dodecan-1-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)dodecan-1-amine
PubChem CID3804938
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN,N-bis(prop-2-enyl)dodecan-1-amine
SMILESC=CCN(CC=C)CCCCCCCCCCCC
InChIInChI=1S/C18H35N/c1-4-7-8-9-10-11-12-13-14-15-18-19(16-5-2)17-6-3/h5-6H,2-4,7-18H2,1H3
InChIKeyCMQARNDWULTILC-UHFFFAOYSA-N
XLogP5.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.58
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)dodecan-1-amine?
The IUPAC name of N,N-bis(prop-2-enyl)dodecan-1-amine (CID 3804938) is N,N-bis(prop-2-enyl)dodecan-1-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)dodecan-1-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)dodecan-1-amine is C=CCN(CC=C)CCCCCCCCCCCC.
What is the InChIKey of N,N-bis(prop-2-enyl)dodecan-1-amine?
The InChIKey is CMQARNDWULTILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-4-7-8-9-10-11-12-13-14-15-18-19(16-5-2)17-6-3/h5-6H,2-4,7-18H2,1H3.
What are the key properties of N,N-bis(prop-2-enyl)dodecan-1-amine?
N,N-bis(prop-2-enyl)dodecan-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.58, 15 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)dodecan-1-amine is sourced from PubChem (CID 3804938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).