N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

C15H26N2 — CID 55134374

IUPACN-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCN1CCCCCC1
InChIInChI=1S/C15H26N2/c1-2-4-10-17(9-3-1)11-8-16-15-12-13-6-5-7-14(13)15/h5,7,13-16H,1-4,6,8-12H2
InChIKeyXGMRPVYXYDKZLK-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.42
Rot. Bonds4

About N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 55134374) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID55134374
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESC1=CC2C(C1)CC2NCCN1CCCCCC1
InChIInChI=1S/C15H26N2/c1-2-4-10-17(9-3-1)11-8-16-15-12-13-6-5-7-14(13)15/h5,7,13-16H,1-4,6,8-12H2
InChIKeyXGMRPVYXYDKZLK-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bicyclo[3.2.0]hept-3-enyl)piperidin-1-amine
CID 83007662
N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43225559
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 54967617
3-[(6-bicyclo[3.2.0]hept-3-enylamino)methyl]pentan-3-ol
CID 65105673
1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
CID 80560908
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
2-methylsulfonyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 65045793
N-[2-(azepan-1-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853999
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
CID 103248849

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 55134374) is N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is C1=CC2C(C1)CC2NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is XGMRPVYXYDKZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-4-10-17(9-3-1)11-8-16-15-12-13-6-5-7-14(13)15/h5,7,13-16H,1-4,6,8-12H2.
What are the key properties of N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 234.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 55134374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).