N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine

C9H16N2 — CID 89138871

IUPACN,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine
SMILESCNC1=CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h5,8-10H,3-4,6H2,1-2H3
InChIKeyITHPRAKILYVZKC-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.96
Rot. Bonds1

About N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine

N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine (PubChem CID 89138871) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine.

Molecular Properties

Compound NameN,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine
PubChem CID89138871
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine
SMILESCNC1=CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h5,8-10H,3-4,6H2,1-2H3
InChIKeyITHPRAKILYVZKC-UHFFFAOYSA-N
XLogP0.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5S)-2-propan-2-yl-2-azabicyclo[2.2.1]hept-1(6)-en-5-amine
CID 163676967
Tropenium bromide
CID 129693839
3-Isocyano-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 20708718
8-Azabicyclo[3.2.1]oct-1-ene
CID 21922873
4-Pyrrolidin-1-yl-1,2,3,6-tetrahydropyridine
CID 54501895
N-methyl-3-(1-methylpyrrolidin-2-yl)prop-1-en-2-amine
CID 58035202
N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 59779368
N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine
CID 67758241
1-N,1-N-dimethyl-4-N-prop-1-en-2-ylcyclohexene-1,4-diamine
CID 68376150
(3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine
CID 70653035
2,6-Dimethyl-1,2,3,5,6,7,7a,8-octahydropyrrolo[3,2-f]indole
CID 89011470
(1Z,3E)-3-N,3-N-dimethyl-5-[[(2S)-pyrrolidin-2-yl]methyl]hexa-1,3,5-triene-1,3-diamine
CID 89298697

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine?
The IUPAC name of N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine (CID 89138871) is N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine.
What is the SMILES notation for N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine?
The canonical SMILES for N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine is CNC1=CC2CCC(C1)N2C.
What is the InChIKey of N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine?
The InChIKey is ITHPRAKILYVZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h5,8-10H,3-4,6H2,1-2H3.
What are the key properties of N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine?
N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine has a molecular weight of 152.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine is sourced from PubChem (CID 89138871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).