N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine

C15H28N2 — CID 104655656

IUPACN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C15H28N2/c1-4-5-6-12(2)16-11-13-9-14-7-8-15(10-13)17(14)3/h4,12-16H,1,5-11H2,2-3H3
InChIKeyKGPYDKAWCWVLTH-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.80
Rot. Bonds6

About N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine

N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine (PubChem CID 104655656) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine
PubChem CID104655656
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C15H28N2/c1-4-5-6-12(2)16-11-13-9-14-7-8-15(10-13)17(14)3/h4,12-16H,1,5-11H2,2-3H3
InChIKeyKGPYDKAWCWVLTH-UHFFFAOYSA-N
XLogP2.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.80
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

3-Ethenyl-3-fluoro-8-azabicyclo[3.2.1]octane
CID 112564500
3-Fluoro-3-prop-2-enyl-8-azabicyclo[3.2.1]octane
CID 112564696
3-Fluoro-3-prop-1-en-2-yl-8-azabicyclo[3.2.1]octane
CID 112564726
(E)-N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-fluoropent-2-en-1-amine
CID 143062711
8-Methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-amine
CID 59403606
(1R,2R,6R)-9,9-dimethyl-5,11-diazatricyclo[6.2.1.02,6]undec-3-ene
CID 59857945
2,5-Bis(prop-2-enyl)piperidine
CID 66742489
1-Prop-2-enyl-8-azabicyclo[3.2.1]octane
CID 67192801
2-Butan-2-yl-6-ethenyl-4-methylidenepiperidine
CID 67906528
1-Undec-10-enyl-8-azabicyclo[3.2.1]octane
CID 69030633
3-Ethenyl-8-methyl-8-azabicyclo[3.2.1]octane
CID 69136334
1-Prop-2-enyl-2-pyrrolidin-3-ylpiperidine
CID 69188306

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine?
The IUPAC name of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine (CID 104655656) is N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine.
What is the SMILES notation for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine?
The canonical SMILES for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine is C=CCCC(C)NCC1CC2CCC(C1)N2C.
What is the InChIKey of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine?
The InChIKey is KGPYDKAWCWVLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-5-6-12(2)16-11-13-9-14-7-8-15(10-13)17(14)3/h4,12-16H,1,5-11H2,2-3H3.
What are the key properties of N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine?
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine has a molecular weight of 236.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hex-5-en-2-amine is sourced from PubChem (CID 104655656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).