(E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine

C16H32N2 — CID 154971548

IUPAC(E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine
SMILES[H]/N=C(\CC(C)C)C(C)/C=C(\C)CNCC(C)CC
InChIInChI=1S/C16H32N2/c1-7-13(4)10-18-11-14(5)9-15(6)16(17)8-12(2)3/h9,12-13,15,17-18H,7-8,10-11H2,1-6H3/b14-9+,17-16+
InChIKeyNMJDCQVWTGXJIJ-WNBKNDGGSA-N
MW252.45 g/mol
LogP4.27
Rot. Bonds9

About (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine

(E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine (PubChem CID 154971548) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine.

Molecular Properties

Compound Name(E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine
PubChem CID154971548
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine
SMILES[H]/N=C(\CC(C)C)C(C)/C=C(\C)CNCC(C)CC
InChIInChI=1S/C16H32N2/c1-7-13(4)10-18-11-14(5)9-15(6)16(17)8-12(2)3/h9,12-13,15,17-18H,7-8,10-11H2,1-6H3/b14-9+,17-16+
InChIKeyNMJDCQVWTGXJIJ-WNBKNDGGSA-N
XLogP4.27
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine?
The IUPAC name of (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine (CID 154971548) is (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine.
What is the SMILES notation for (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine?
The canonical SMILES for (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine is [H]/N=C(\CC(C)C)C(C)/C=C(\C)CNCC(C)CC.
What is the InChIKey of (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine?
The InChIKey is NMJDCQVWTGXJIJ-WNBKNDGGSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-13(4)10-18-11-14(5)9-15(6)16(17)8-12(2)3/h9,12-13,15,17-18H,7-8,10-11H2,1-6H3/b14-9+,17-16+.
What are the key properties of (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine?
(E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine has a molecular weight of 252.45 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-imino-2,4,7-trimethyl-N-(2-methylbutyl)oct-2-en-1-amine is sourced from PubChem (CID 154971548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).