9-methylimino-N-propan-2-yldec-1-en-2-amine

C14H28N2 — CID 155148440

IUPAC9-methylimino-N-propan-2-yldec-1-en-2-amine
SMILESC=C(CCCCCC/C(C)=N/C)NC(C)C
InChIInChI=1S/C14H28N2/c1-12(2)16-14(4)11-9-7-6-8-10-13(3)15-5/h12,16H,4,6-11H2,1-3,5H3/b15-13+
InChIKeyXHNFAUKRCOAVNF-FYWRMAATSA-N
MW224.39 g/mol
LogP3.93
Rot. Bonds9

About 9-methylimino-N-propan-2-yldec-1-en-2-amine

9-methylimino-N-propan-2-yldec-1-en-2-amine (PubChem CID 155148440) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 9-methylimino-N-propan-2-yldec-1-en-2-amine.

Molecular Properties

Compound Name9-methylimino-N-propan-2-yldec-1-en-2-amine
PubChem CID155148440
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name9-methylimino-N-propan-2-yldec-1-en-2-amine
SMILESC=C(CCCCCC/C(C)=N/C)NC(C)C
InChIInChI=1S/C14H28N2/c1-12(2)16-14(4)11-9-7-6-8-10-13(3)15-5/h12,16H,4,6-11H2,1-3,5H3/b15-13+
InChIKeyXHNFAUKRCOAVNF-FYWRMAATSA-N
XLogP3.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methylimino-N-propan-2-yldec-1-en-2-amine?
The IUPAC name of 9-methylimino-N-propan-2-yldec-1-en-2-amine (CID 155148440) is 9-methylimino-N-propan-2-yldec-1-en-2-amine.
What is the SMILES notation for 9-methylimino-N-propan-2-yldec-1-en-2-amine?
The canonical SMILES for 9-methylimino-N-propan-2-yldec-1-en-2-amine is C=C(CCCCCC/C(C)=N/C)NC(C)C.
What is the InChIKey of 9-methylimino-N-propan-2-yldec-1-en-2-amine?
The InChIKey is XHNFAUKRCOAVNF-FYWRMAATSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)16-14(4)11-9-7-6-8-10-13(3)15-5/h12,16H,4,6-11H2,1-3,5H3/b15-13+.
What are the key properties of 9-methylimino-N-propan-2-yldec-1-en-2-amine?
9-methylimino-N-propan-2-yldec-1-en-2-amine has a molecular weight of 224.39 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylimino-N-propan-2-yldec-1-en-2-amine is sourced from PubChem (CID 155148440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).