1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine

C11H23N3 — CID 130709624

IUPAC1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C11H23N3/c1-8(12)7-14(2)11-5-9-3-4-10(6-11)13-9/h8-11,13H,3-7,12H2,1-2H3
InChIKeyBJHSZRWXXKIVTL-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.55
Rot. Bonds3

About 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine

1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 130709624) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
PubChem CID130709624
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
SMILESCC(N)CN(C)C1CC2CCC(C1)N2
InChIInChI=1S/C11H23N3/c1-8(12)7-14(2)11-5-9-3-4-10(6-11)13-9/h8-11,13H,3-7,12H2,1-2H3
InChIKeyBJHSZRWXXKIVTL-UHFFFAOYSA-N
XLogP0.55
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
CID 104873486
N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83158606
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol
CID 63928214
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230844
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-cyclopentylpropan-2-ol
CID 103160829
N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836447
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-ethoxypropan-2-ol
CID 63933610
3-[2-aminopropyl(methyl)amino]cyclobutane-1-carboxamide
CID 167779579
N-(cyclobutylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65456700
1-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]propan-2-ol
CID 61231550
propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61231285

Frequently Asked Questions

What is the IUPAC name of 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine (CID 130709624) is 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine is CC(N)CN(C)C1CC2CCC(C1)N2.
What is the InChIKey of 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is BJHSZRWXXKIVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8(12)7-14(2)11-5-9-3-4-10(6-11)13-9/h8-11,13H,3-7,12H2,1-2H3.
What are the key properties of 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine?
1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 197.33 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 130709624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).