(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

C13H24N2 — CID 59072786

IUPAC(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC(C)C/C=C/C[C@H]1CCCCC(N)=N1
InChIInChI=1S/C13H24N2/c1-11(2)7-3-4-8-12-9-5-6-10-13(14)15-12/h3-4,11-12H,5-10H2,1-2H3,(H2,14,15)/b4-3+/t12-/m0/s1
InChIKeyAXEXKMGVKHYSMP-PCAWENJQSA-N
MW208.35 g/mol
LogP3.28
Rot. Bonds4

About (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine

(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 59072786) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID59072786
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESCC(C)C/C=C/C[C@H]1CCCCC(N)=N1
InChIInChI=1S/C13H24N2/c1-11(2)7-3-4-8-12-9-5-6-10-13(14)15-12/h3-4,11-12H,5-10H2,1-2H3,(H2,14,15)/b4-3+/t12-/m0/s1
InChIKeyAXEXKMGVKHYSMP-PCAWENJQSA-N
XLogP3.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

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Related Compounds

((E)-7-But-2-enyl)-azepan-(2Z)-ylideneamine
CID 10012278
hexahydro-7-(2-propenyl)-1H-azepin-2-imine, monohydrochloride
CID 17777016
7-Allyl-azepan-(2Z)-ylideneamine; hydrochloride
CID 10702801
2-[(E)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18340016
N-[2-[(E)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-yl]hydroxylamine
CID 18340019
4-Methyl-2-prop-2-enyl-2,3,4,5-tetrahydropyridin-6-amine
CID 18428441
2-(cyclohexen-1-yl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 18428592
2-but-3-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 23378577
2-but-1-enyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 54004246
(2R)-2-[(Z)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59072761
(2S)-2-[(E,5R)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908785
(2S)-2-[(Z,5S)-5-aminohex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 59908787

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 59072786) is (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is CC(C)C/C=C/C[C@H]1CCCCC(N)=N1.
What is the InChIKey of (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is AXEXKMGVKHYSMP-PCAWENJQSA-N. The full InChI is InChI=1S/C13H24N2/c1-11(2)7-3-4-8-12-9-5-6-10-13(14)15-12/h3-4,11-12H,5-10H2,1-2H3,(H2,14,15)/b4-3+/t12-/m0/s1.
What are the key properties of (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine?
(2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 208.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-5-methylhex-2-enyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 59072786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).