(3E)-3-ethylidene-N-methylundec-5-en-1-amine

C14H27N — CID 139397525

IUPAC(3E)-3-ethylidene-N-methylundec-5-en-1-amine
SMILESC/C=C(\CC=CCCCCC)CCNC
InChIInChI=1S/C14H27N/c1-4-6-7-8-9-10-11-14(5-2)12-13-15-3/h5,9-10,15H,4,6-8,11-13H2,1-3H3/b10-9?,14-5+
InChIKeyJMPMBSPHZNFXPI-FFTQPYAOSA-N
MW209.38 g/mol
LogP4.07
Rot. Bonds9

About (3E)-3-ethylidene-N-methylundec-5-en-1-amine

(3E)-3-ethylidene-N-methylundec-5-en-1-amine (PubChem CID 139397525) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3E)-3-ethylidene-N-methylundec-5-en-1-amine.

Molecular Properties

Compound Name(3E)-3-ethylidene-N-methylundec-5-en-1-amine
PubChem CID139397525
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3E)-3-ethylidene-N-methylundec-5-en-1-amine
SMILESC/C=C(\CC=CCCCCC)CCNC
InChIInChI=1S/C14H27N/c1-4-6-7-8-9-10-11-14(5-2)12-13-15-3/h5,9-10,15H,4,6-8,11-13H2,1-3H3/b10-9?,14-5+
InChIKeyJMPMBSPHZNFXPI-FFTQPYAOSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.07
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 (3E)-3-ethylidene-N-methylundec-5-en-1-amine?
The IUPAC name of (3E)-3-ethylidene-N-methylundec-5-en-1-amine (CID 139397525) is (3E)-3-ethylidene-N-methylundec-5-en-1-amine.
What is the SMILES notation for (3E)-3-ethylidene-N-methylundec-5-en-1-amine?
The canonical SMILES for (3E)-3-ethylidene-N-methylundec-5-en-1-amine is C/C=C(\CC=CCCCCC)CCNC.
What is the InChIKey of (3E)-3-ethylidene-N-methylundec-5-en-1-amine?
The InChIKey is JMPMBSPHZNFXPI-FFTQPYAOSA-N. The full InChI is InChI=1S/C14H27N/c1-4-6-7-8-9-10-11-14(5-2)12-13-15-3/h5,9-10,15H,4,6-8,11-13H2,1-3H3/b10-9?,14-5+.
What are the key properties of (3E)-3-ethylidene-N-methylundec-5-en-1-amine?
(3E)-3-ethylidene-N-methylundec-5-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-N-methylundec-5-en-1-amine is sourced from PubChem (CID 139397525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).