1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine

C12H23N — CID 66476314

IUPAC1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
SMILESCC1(C)C(CNCC2CC2)C1(C)C
InChIInChI=1S/C12H23N/c1-11(2)10(12(11,3)4)8-13-7-9-5-6-9/h9-10,13H,5-8H2,1-4H3
InChIKeyRDXMZDVOLYADMO-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.67
Rot. Bonds4

About 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine

1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine (PubChem CID 66476314) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
PubChem CID66476314
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
SMILESCC1(C)C(CNCC2CC2)C1(C)C
InChIInChI=1S/C12H23N/c1-11(2)10(12(11,3)4)8-13-7-9-5-6-9/h9-10,13H,5-8H2,1-4H3
InChIKeyRDXMZDVOLYADMO-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine (CID 66476314) is 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine is CC1(C)C(CNCC2CC2)C1(C)C.
What is the InChIKey of 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
The InChIKey is RDXMZDVOLYADMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)10(12(11,3)4)8-13-7-9-5-6-9/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine?
1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine has a molecular weight of 181.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 66476314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).