5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine

C17H28N2 — CID 155473093

IUPAC5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine
SMILESC/C=C(/CC)C1=C(C(C)CC)CC(CC)=CN=C1N
InChIInChI=1S/C17H28N2/c1-6-12(5)15-10-13(7-2)11-19-17(18)16(15)14(8-3)9-4/h8,11-12H,6-7,9-10H2,1-5H3,(H2,18,19)/b14-8-
InChIKeyWCTUYBUVJGLYDV-ZSOIEALJSA-N
MW260.42 g/mol
LogP4.74
Rot. Bonds5

About 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine

5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine (PubChem CID 155473093) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine.

Molecular Properties

Compound Name5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine
PubChem CID155473093
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine
SMILESC/C=C(/CC)C1=C(C(C)CC)CC(CC)=CN=C1N
InChIInChI=1S/C17H28N2/c1-6-12(5)15-10-13(7-2)11-19-17(18)16(15)14(8-3)9-4/h8,11-12H,6-7,9-10H2,1-5H3,(H2,18,19)/b14-8-
InChIKeyWCTUYBUVJGLYDV-ZSOIEALJSA-N
XLogP4.74
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[cyclohexa-1,5-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]-4-[(4Z)-hepta-4,6-dien-3-yl]cyclohexa-1,3-diene-1-carboximidamide
CID 89024757
6-(1-Aminoethenyl)-5-(5-ethylheptan-3-yl)-3-methylideneazepin-2-amine
CID 90137041
(6Z)-5-[(5Z)-5,7-dimethylocta-3,5,7-trien-4-yl]-6-(2-methylbut-2-enylidene)-2,3-dihydroazepin-7-amine
CID 123413789
4-methyl-N'-[(Z)-prop-1-enyl]cyclohexene-1-carboximidamide
CID 129060246
(Z)-2-(1-cyclohexylethenyl)-N'-methylhex-2-enimidamide
CID 142207738
ethane;(3Z)-3-ethylidene-4-heptan-4-yl-N-methyl-1H-pyrrol-2-imine
CID 142207780
7-methyl-6,7,8,9-tetrahydro-3H-2-benzazepin-1-amine
CID 143158039
2-ethenyl-N',4-dimethylcyclohexene-1-carboximidamide
CID 143158054
7-methyl-6,7,8,9-tetrahydro-5H-2-benzazepin-1-amine
CID 143158060
2-ethenyl-N'-ethyl-4-methylcycloheptene-1-carboximidamide
CID 143158071
4-(Cyclopropylmethyl)-3-propan-2-ylidenepyrrol-2-amine
CID 146365385
N'-(1-cyclohexa-1,5-dien-1-yl-4-ethyl-7-methyl-2-methylideneoct-6-enyl)-2-methylidenehex-5-enimidamide
CID 146660472

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine?
The IUPAC name of 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine (CID 155473093) is 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine.
What is the SMILES notation for 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine?
The canonical SMILES for 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine is C/C=C(/CC)C1=C(C(C)CC)CC(CC)=CN=C1N.
What is the InChIKey of 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine?
The InChIKey is WCTUYBUVJGLYDV-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H28N2/c1-6-12(5)15-10-13(7-2)11-19-17(18)16(15)14(8-3)9-4/h8,11-12H,6-7,9-10H2,1-5H3,(H2,18,19)/b14-8-.
What are the key properties of 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine?
5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine has a molecular weight of 260.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-ethyl-6-[(Z)-pent-2-en-3-yl]-4H-azepin-7-amine is sourced from PubChem (CID 155473093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).