(E)-N-ethyl-2-methyltetradec-7-en-2-amine

C17H35N — CID 19893741

IUPAC(E)-N-ethyl-2-methyltetradec-7-en-2-amine
SMILESCCCCCC/C=C/CCCCC(C)(C)NCC
InChIInChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)18-6-2/h11-12,18H,5-10,13-16H2,1-4H3/b12-11+
InChIKeyUBWPSJRIBPQRNK-VAWYXSNFSA-N
MW253.47 g/mol
LogP5.46
Rot. Bonds12

About (E)-N-ethyl-2-methyltetradec-7-en-2-amine

(E)-N-ethyl-2-methyltetradec-7-en-2-amine (PubChem CID 19893741) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (E)-N-ethyl-2-methyltetradec-7-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-2-methyltetradec-7-en-2-amine
PubChem CID19893741
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(E)-N-ethyl-2-methyltetradec-7-en-2-amine
SMILESCCCCCC/C=C/CCCCC(C)(C)NCC
InChIInChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)18-6-2/h11-12,18H,5-10,13-16H2,1-4H3/b12-11+
InChIKeyUBWPSJRIBPQRNK-VAWYXSNFSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.46
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)-N-ethyl-2-methyltetradec-7-en-2-amine?
The IUPAC name of (E)-N-ethyl-2-methyltetradec-7-en-2-amine (CID 19893741) is (E)-N-ethyl-2-methyltetradec-7-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-2-methyltetradec-7-en-2-amine?
The canonical SMILES for (E)-N-ethyl-2-methyltetradec-7-en-2-amine is CCCCCC/C=C/CCCCC(C)(C)NCC.
What is the InChIKey of (E)-N-ethyl-2-methyltetradec-7-en-2-amine?
The InChIKey is UBWPSJRIBPQRNK-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)18-6-2/h11-12,18H,5-10,13-16H2,1-4H3/b12-11+.
What are the key properties of (E)-N-ethyl-2-methyltetradec-7-en-2-amine?
(E)-N-ethyl-2-methyltetradec-7-en-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.46, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-methyltetradec-7-en-2-amine is sourced from PubChem (CID 19893741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).