(E)-2-methyl-N-propyldodec-7-en-2-amine

C16H33N — CID 19893793

IUPAC(E)-2-methyl-N-propyldodec-7-en-2-amine
SMILESCCCC/C=C/CCCCC(C)(C)NCCC
InChIInChI=1S/C16H33N/c1-5-7-8-9-10-11-12-13-14-16(3,4)17-15-6-2/h9-10,17H,5-8,11-15H2,1-4H3/b10-9+
InChIKeyDWNICMGEUPKADM-MDZDMXLPSA-N
MW239.45 g/mol
LogP5.07
Rot. Bonds11

About (E)-2-methyl-N-propyldodec-7-en-2-amine

(E)-2-methyl-N-propyldodec-7-en-2-amine (PubChem CID 19893793) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (E)-2-methyl-N-propyldodec-7-en-2-amine.

Molecular Properties

Compound Name(E)-2-methyl-N-propyldodec-7-en-2-amine
PubChem CID19893793
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(E)-2-methyl-N-propyldodec-7-en-2-amine
SMILESCCCC/C=C/CCCCC(C)(C)NCCC
InChIInChI=1S/C16H33N/c1-5-7-8-9-10-11-12-13-14-16(3,4)17-15-6-2/h9-10,17H,5-8,11-15H2,1-4H3/b10-9+
InChIKeyDWNICMGEUPKADM-MDZDMXLPSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
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 (E)-2-methyl-N-propyldodec-7-en-2-amine?
The IUPAC name of (E)-2-methyl-N-propyldodec-7-en-2-amine (CID 19893793) is (E)-2-methyl-N-propyldodec-7-en-2-amine.
What is the SMILES notation for (E)-2-methyl-N-propyldodec-7-en-2-amine?
The canonical SMILES for (E)-2-methyl-N-propyldodec-7-en-2-amine is CCCC/C=C/CCCCC(C)(C)NCCC.
What is the InChIKey of (E)-2-methyl-N-propyldodec-7-en-2-amine?
The InChIKey is DWNICMGEUPKADM-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H33N/c1-5-7-8-9-10-11-12-13-14-16(3,4)17-15-6-2/h9-10,17H,5-8,11-15H2,1-4H3/b10-9+.
What are the key properties of (E)-2-methyl-N-propyldodec-7-en-2-amine?
(E)-2-methyl-N-propyldodec-7-en-2-amine has a molecular weight of 239.45 g/mol, XLogP of 5.07, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-propyldodec-7-en-2-amine is sourced from PubChem (CID 19893793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).