N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C12H22N2 — CID 61230844

IUPACN-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CC1CC1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2/c1-14(8-9-2-3-9)12-6-10-4-5-11(7-12)13-10/h9-13H,2-8H2,1H3
InChIKeyWPWDPILALKTZML-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.61
Rot. Bonds3

About N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61230844) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61230844
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CC1CC1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H22N2/c1-14(8-9-2-3-9)12-6-10-4-5-11(7-12)13-10/h9-13H,2-8H2,1H3
InChIKeyWPWDPILALKTZML-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61230844) is N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(CC1CC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is WPWDPILALKTZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-14(8-9-2-3-9)12-6-10-4-5-11(7-12)13-10/h9-13H,2-8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61230844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).