N-methyl-N-prop-2-enyldodecan-1-amine

C16H33N — CID 14198342

IUPACN-methyl-N-prop-2-enyldodecan-1-amine
SMILESC=CCN(C)CCCCCCCCCCCC
InChIInChI=1S/C16H33N/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h5H,2,4,6-16H2,1,3H3
InChIKeyJVWKQBRUVABZRJ-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.03
Rot. Bonds13

About N-methyl-N-prop-2-enyldodecan-1-amine

N-methyl-N-prop-2-enyldodecan-1-amine (PubChem CID 14198342) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-methyl-N-prop-2-enyldodecan-1-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-enyldodecan-1-amine
PubChem CID14198342
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-methyl-N-prop-2-enyldodecan-1-amine
SMILESC=CCN(C)CCCCCCCCCCCC
InChIInChI=1S/C16H33N/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h5H,2,4,6-16H2,1,3H3
InChIKeyJVWKQBRUVABZRJ-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.03
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-methyl-N-prop-2-enyldodecan-1-amine?
The IUPAC name of N-methyl-N-prop-2-enyldodecan-1-amine (CID 14198342) is N-methyl-N-prop-2-enyldodecan-1-amine.
What is the SMILES notation for N-methyl-N-prop-2-enyldodecan-1-amine?
The canonical SMILES for N-methyl-N-prop-2-enyldodecan-1-amine is C=CCN(C)CCCCCCCCCCCC.
What is the InChIKey of N-methyl-N-prop-2-enyldodecan-1-amine?
The InChIKey is JVWKQBRUVABZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h5H,2,4,6-16H2,1,3H3.
What are the key properties of N-methyl-N-prop-2-enyldodecan-1-amine?
N-methyl-N-prop-2-enyldodecan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 5.03, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enyldodecan-1-amine is sourced from PubChem (CID 14198342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).