3-[(E)-but-1-enyl]azepan-1-amine

C10H20N2 — CID 144927388

IUPAC3-[(E)-but-1-enyl]azepan-1-amine
SMILESCC/C=C/C1CCCCN(N)C1
InChIInChI=1S/C10H20N2/c1-2-3-6-10-7-4-5-8-12(11)9-10/h3,6,10H,2,4-5,7-9,11H2,1H3/b6-3+
InChIKeyWOHVYXXPQOHNCT-ZZXKWVIFSA-N
MW168.28 g/mol
LogP1.93
Rot. Bonds2

About 3-[(E)-but-1-enyl]azepan-1-amine

3-[(E)-but-1-enyl]azepan-1-amine (PubChem CID 144927388) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]azepan-1-amine.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]azepan-1-amine
PubChem CID144927388
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-[(E)-but-1-enyl]azepan-1-amine
SMILESCC/C=C/C1CCCCN(N)C1
InChIInChI=1S/C10H20N2/c1-2-3-6-10-7-4-5-8-12(11)9-10/h3,6,10H,2,4-5,7-9,11H2,1H3/b6-3+
InChIKeyWOHVYXXPQOHNCT-ZZXKWVIFSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Cyclohex-2-en-1-ylmethyl)-1-methylhydrazine
CID 118548939
1-Methyl-3-prop-1-enylazepane
CID 123346781
Amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium
CID 123712401
1-[[3-[(Z)-but-1-enyl]cyclobutyl]methyl]-1-ethylhydrazine
CID 155274580
N-[(3E)-2,5-dimethylocta-3,7-dienyl]azepan-1-amine
CID 166977656
1-(1,4-Dimethylcyclohex-2-en-1-yl)diazepane
CID 170375583
1-methyl-3-[(E)-prop-1-enyl]azepane
CID 144108431
1-Ethyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]hydrazine
CID 145478745
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylhydrazine
CID 163984763

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]azepan-1-amine?
The IUPAC name of 3-[(E)-but-1-enyl]azepan-1-amine (CID 144927388) is 3-[(E)-but-1-enyl]azepan-1-amine.
What is the SMILES notation for 3-[(E)-but-1-enyl]azepan-1-amine?
The canonical SMILES for 3-[(E)-but-1-enyl]azepan-1-amine is CC/C=C/C1CCCCN(N)C1.
What is the InChIKey of 3-[(E)-but-1-enyl]azepan-1-amine?
The InChIKey is WOHVYXXPQOHNCT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-3-6-10-7-4-5-8-12(11)9-10/h3,6,10H,2,4-5,7-9,11H2,1H3/b6-3+.
What are the key properties of 3-[(E)-but-1-enyl]azepan-1-amine?
3-[(E)-but-1-enyl]azepan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]azepan-1-amine is sourced from PubChem (CID 144927388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).