(E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine

C13H22N2 — CID 130374712

IUPAC(E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine
SMILESCC(C)C/C=C(/N)C1C=CC=NC(C)C1
InChIInChI=1S/C13H22N2/c1-10(2)6-7-13(14)12-5-4-8-15-11(3)9-12/h4-5,7-8,10-12H,6,9,14H2,1-3H3/b13-7+
InChIKeyOWZKQNWYHZGTKC-NTUHNPAUSA-N
MW206.33 g/mol
LogP2.91
Rot. Bonds3

About (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine

(E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine (PubChem CID 130374712) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine.

Molecular Properties

Compound Name(E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine
PubChem CID130374712
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine
SMILESCC(C)C/C=C(/N)C1C=CC=NC(C)C1
InChIInChI=1S/C13H22N2/c1-10(2)6-7-13(14)12-5-4-8-15-11(3)9-12/h4-5,7-8,10-12H,6,9,14H2,1-3H3/b13-7+
InChIKeyOWZKQNWYHZGTKC-NTUHNPAUSA-N
XLogP2.91
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine?
The IUPAC name of (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine (CID 130374712) is (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine.
What is the SMILES notation for (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine?
The canonical SMILES for (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine is CC(C)C/C=C(/N)C1C=CC=NC(C)C1.
What is the InChIKey of (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine?
The InChIKey is OWZKQNWYHZGTKC-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)6-7-13(14)12-5-4-8-15-11(3)9-12/h4-5,7-8,10-12H,6,9,14H2,1-3H3/b13-7+.
What are the key properties of (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine?
(E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-1-(2-methyl-3,4-dihydro-2H-azepin-4-yl)pent-1-en-1-amine is sourced from PubChem (CID 130374712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).