N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine

C11H22N2 — CID 89432003

IUPACN-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)CC12CCN(CC1)C2
InChIInChI=1S/C11H22N2/c1-10(2)12(3)8-11-4-6-13(9-11)7-5-11/h10H,4-9H2,1-3H3
InChIKeyRISJZUMVRMYBMJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds3

About N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine

N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine (PubChem CID 89432003) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine
PubChem CID89432003
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)CC12CCN(CC1)C2
InChIInChI=1S/C11H22N2/c1-10(2)12(3)8-11-4-6-13(9-11)7-5-11/h10H,4-9H2,1-3H3
InChIKeyRISJZUMVRMYBMJ-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine (CID 89432003) is N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine is CC(C)N(C)CC12CCN(CC1)C2.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine?
The InChIKey is RISJZUMVRMYBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)12(3)8-11-4-6-13(9-11)7-5-11/h10H,4-9H2,1-3H3.
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine?
N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-4-ylmethyl)-N-methylpropan-2-amine is sourced from PubChem (CID 89432003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).