N-methyl-N-octan-2-ylcyclopropanamine

C12H25N — CID 27733

IUPACN-methyl-N-octan-2-ylcyclopropanamine
SMILESCCCCCCC(C)N(C)C1CC1
InChIInChI=1S/C12H25N/c1-4-5-6-7-8-11(2)13(3)12-9-10-12/h11-12H,4-10H2,1-3H3
InChIKeyAJEJCAGDSUVFMI-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.44
Rot. Bonds7

About N-methyl-N-octan-2-ylcyclopropanamine

N-methyl-N-octan-2-ylcyclopropanamine (PubChem CID 27733) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-methyl-N-octan-2-ylcyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-octan-2-ylcyclopropanamine
PubChem CID27733
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-methyl-N-octan-2-ylcyclopropanamine
SMILESCCCCCCC(C)N(C)C1CC1
InChIInChI=1S/C12H25N/c1-4-5-6-7-8-11(2)13(3)12-9-10-12/h11-12H,4-10H2,1-3H3
InChIKeyAJEJCAGDSUVFMI-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octan-2-ylcyclopropanamine?
The IUPAC name of N-methyl-N-octan-2-ylcyclopropanamine (CID 27733) is N-methyl-N-octan-2-ylcyclopropanamine.
What is the SMILES notation for N-methyl-N-octan-2-ylcyclopropanamine?
The canonical SMILES for N-methyl-N-octan-2-ylcyclopropanamine is CCCCCCC(C)N(C)C1CC1.
What is the InChIKey of N-methyl-N-octan-2-ylcyclopropanamine?
The InChIKey is AJEJCAGDSUVFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-5-6-7-8-11(2)13(3)12-9-10-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-methyl-N-octan-2-ylcyclopropanamine?
N-methyl-N-octan-2-ylcyclopropanamine has a molecular weight of 183.34 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octan-2-ylcyclopropanamine is sourced from PubChem (CID 27733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).