5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine

C11H21N — CID 163761347

IUPAC5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine
SMILES[H]/N=C(\C)CCCC1(CC)CC1C
InChIInChI=1S/C11H21N/c1-4-11(8-9(11)2)7-5-6-10(3)12/h9,12H,4-8H2,1-3H3/b12-10+
InChIKeyLYLIUGHCYMQUQW-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.63
Rot. Bonds5

About 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine

5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine (PubChem CID 163761347) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine.

Molecular Properties

Compound Name5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine
PubChem CID163761347
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine
SMILES[H]/N=C(\C)CCCC1(CC)CC1C
InChIInChI=1S/C11H21N/c1-4-11(8-9(11)2)7-5-6-10(3)12/h9,12H,4-8H2,1-3H3/b12-10+
InChIKeyLYLIUGHCYMQUQW-ZRDIBKRKSA-N
XLogP3.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.63
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 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine?
The IUPAC name of 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine (CID 163761347) is 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine.
What is the SMILES notation for 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine?
The canonical SMILES for 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine is [H]/N=C(\C)CCCC1(CC)CC1C.
What is the InChIKey of 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine?
The InChIKey is LYLIUGHCYMQUQW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-4-11(8-9(11)2)7-5-6-10(3)12/h9,12H,4-8H2,1-3H3/b12-10+.
What are the key properties of 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine?
5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-2-methylcyclopropyl)pentan-2-imine is sourced from PubChem (CID 163761347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).