N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine

C14H25N — CID 115325152

IUPACN-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)CCCCNC1CC2CC=CC21
InChIInChI=1S/C14H25N/c1-11(2)6-3-4-9-15-14-10-12-7-5-8-13(12)14/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3
InChIKeyCZFMBZDRSZTYKB-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.37
Rot. Bonds6

About N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine

N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 115325152) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID115325152
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine
SMILESCC(C)CCCCNC1CC2CC=CC21
InChIInChI=1S/C14H25N/c1-11(2)6-3-4-9-15-14-10-12-7-5-8-13(12)14/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3
InChIKeyCZFMBZDRSZTYKB-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(6-bicyclo[3.2.0]hept-3-enylamino)propan-1-ol
CID 43222698
N-(3-cyclohexyloxypropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43225559
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 79352840
ethyl 4-(6-bicyclo[3.2.0]hept-3-enylamino)butanoate
CID 64577755
2-N-(6-bicyclo[3.2.0]hept-3-enyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82939082
trans-(1R,2R)-2-(5-methylhexylamino)cyclopentan-1-ol
CID 102733877
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43223906
N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 55136454
N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43756772
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 106414334
3-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide
CID 60925183
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine (CID 115325152) is N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine is CC(C)CCCCNC1CC2CC=CC21.
What is the InChIKey of N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is CZFMBZDRSZTYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11(2)6-3-4-9-15-14-10-12-7-5-8-13(12)14/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine?
N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 207.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 115325152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).