(7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine

C17H33N — CID 155264326

IUPAC(7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine
SMILESCC(C)/C=C/C/C=C/CC(C)C(C)C(N)C(C)C
InChIInChI=1S/C17H33N/c1-13(2)11-9-7-8-10-12-15(5)16(6)17(18)14(3)4/h8-11,13-17H,7,12,18H2,1-6H3/b10-8+,11-9+
InChIKeyRZYVUKYANFRIKM-GFULKKFKSA-N
MW251.46 g/mol
LogP4.79
Rot. Bonds8

About (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine

(7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine (PubChem CID 155264326) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine.

Molecular Properties

Compound Name(7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine
PubChem CID155264326
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name(7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine
SMILESCC(C)/C=C/C/C=C/CC(C)C(C)C(N)C(C)C
InChIInChI=1S/C17H33N/c1-13(2)11-9-7-8-10-12-15(5)16(6)17(18)14(3)4/h8-11,13-17H,7,12,18H2,1-6H3/b10-8+,11-9+
InChIKeyRZYVUKYANFRIKM-GFULKKFKSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine?
The IUPAC name of (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine (CID 155264326) is (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine.
What is the SMILES notation for (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine?
The canonical SMILES for (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine is CC(C)/C=C/C/C=C/CC(C)C(C)C(N)C(C)C.
What is the InChIKey of (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine?
The InChIKey is RZYVUKYANFRIKM-GFULKKFKSA-N. The full InChI is InChI=1S/C17H33N/c1-13(2)11-9-7-8-10-12-15(5)16(6)17(18)14(3)4/h8-11,13-17H,7,12,18H2,1-6H3/b10-8+,11-9+.
What are the key properties of (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine?
(7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine has a molecular weight of 251.46 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,10E)-2,4,5,12-tetramethyltrideca-7,10-dien-3-amine is sourced from PubChem (CID 155264326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).