1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine

C12H23N — CID 175636988

IUPAC1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine
SMILES[H]/N=C(\C)CC1(CCC)CCC[C@@H]1C
InChIInChI=1S/C12H23N/c1-4-7-12(9-11(3)13)8-5-6-10(12)2/h10,13H,4-9H2,1-3H3/b13-11+/t10-,12?/m0/s1
InChIKeyOGRNJAOFTDROLU-OSIMGRJOSA-N
MW181.32 g/mol
LogP4.02
Rot. Bonds4

About 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine

1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine (PubChem CID 175636988) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine.

Molecular Properties

Compound Name1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine
PubChem CID175636988
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine
SMILES[H]/N=C(\C)CC1(CCC)CCC[C@@H]1C
InChIInChI=1S/C12H23N/c1-4-7-12(9-11(3)13)8-5-6-10(12)2/h10,13H,4-9H2,1-3H3/b13-11+/t10-,12?/m0/s1
InChIKeyOGRNJAOFTDROLU-OSIMGRJOSA-N
XLogP4.02
TPSA23.85 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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine?
The IUPAC name of 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine (CID 175636988) is 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine.
What is the SMILES notation for 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine?
The canonical SMILES for 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine is [H]/N=C(\C)CC1(CCC)CCC[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine?
The InChIKey is OGRNJAOFTDROLU-OSIMGRJOSA-N. The full InChI is InChI=1S/C12H23N/c1-4-7-12(9-11(3)13)8-5-6-10(12)2/h10,13H,4-9H2,1-3H3/b13-11+/t10-,12?/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine?
1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine has a molecular weight of 181.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-1-propylcyclopentyl]propan-2-imine is sourced from PubChem (CID 175636988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).