N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine

C12H20N2 — CID 112681195

IUPACN-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine
SMILESC#CC(NC)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H20N2/c1-4-12(13-2)9-7-10-5-6-11(8-9)14(10)3/h1,9-13H,5-8H2,2-3H3
InChIKeyNKKHCARFESBTEY-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.08
Rot. Bonds2

About N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine

N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine (PubChem CID 112681195) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine
PubChem CID112681195
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine
SMILESC#CC(NC)C1CC2CCC(C1)N2C
InChIInChI=1S/C12H20N2/c1-4-12(13-2)9-7-10-5-6-11(8-9)14(10)3/h1,9-13H,5-8H2,2-3H3
InChIKeyNKKHCARFESBTEY-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine (CID 112681195) is N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine is C#CC(NC)C1CC2CCC(C1)N2C.
What is the InChIKey of N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine?
The InChIKey is NKKHCARFESBTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-12(13-2)9-7-10-5-6-11(8-9)14(10)3/h1,9-13H,5-8H2,2-3H3.
What are the key properties of N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine?
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine has a molecular weight of 192.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 112681195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).