N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine

C14H26N2 — CID 107006523

IUPACN-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=CCCCCCNC1CN2CCC1CC2
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-9-15-14-12-16-10-7-13(14)8-11-16/h2,13-15H,1,3-12H2
InChIKeyZSLJVZUQWQGVCR-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.42
Rot. Bonds7

About N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine

N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 107006523) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID107006523
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC=CCCCCCNC1CN2CCC1CC2
InChIInChI=1S/C14H26N2/c1-2-3-4-5-6-9-15-14-12-16-10-7-13(14)8-11-16/h2,13-15H,1,3-12H2
InChIKeyZSLJVZUQWQGVCR-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(7-methyloctyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121717
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pentan-2-ol
CID 106122442
2-cyclopropyl-N-hept-6-enyloxolan-3-amine
CID 107167060
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292
[2-(hept-6-enylamino)cyclohexyl]methanol
CID 107167051
(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
2-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]prop-2-enoic acid
CID 103235388
N-[2-(cyclopenten-1-yl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 106169922
N-(4-methylsulfanylbutyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364898
3-ethyl-2-methyl-N-pent-4-enylcyclopentan-1-amine
CID 64920630
N-[2-(3-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 62314261
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)oct-7-enylhydrazine
CID 107012569

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine (CID 107006523) is N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine is C=CCCCCCNC1CN2CCC1CC2.
What is the InChIKey of N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is ZSLJVZUQWQGVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-2-3-4-5-6-9-15-14-12-16-10-7-13(14)8-11-16/h2,13-15H,1,3-12H2.
What are the key properties of N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine?
N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 222.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 107006523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).