1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine

C8H16N2 — CID 59363705

IUPAC1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CC2C[C@H]2CN1
InChIInChI=1S/C8H16N2/c1-9-5-8-3-6-2-7(6)4-10-8/h6-10H,2-5H2,1H3/t6?,7-,8-/m0/s1
InChIKeyQRKVHSOVUVMSFC-ALKRTJFJSA-N
MW140.23 g/mol
LogP0.20
Rot. Bonds2

About 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine

1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine (PubChem CID 59363705) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine
PubChem CID59363705
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine
SMILESCNC[C@@H]1CC2C[C@H]2CN1
InChIInChI=1S/C8H16N2/c1-9-5-8-3-6-2-7(6)4-10-8/h6-10H,2-5H2,1H3/t6?,7-,8-/m0/s1
InChIKeyQRKVHSOVUVMSFC-ALKRTJFJSA-N
XLogP0.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine (CID 59363705) is 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine is CNC[C@@H]1CC2C[C@H]2CN1.
What is the InChIKey of 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine?
The InChIKey is QRKVHSOVUVMSFC-ALKRTJFJSA-N. The full InChI is InChI=1S/C8H16N2/c1-9-5-8-3-6-2-7(6)4-10-8/h6-10H,2-5H2,1H3/t6?,7-,8-/m0/s1.
What are the key properties of 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine?
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 59363705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).