N-ethyl-1-methyl-2-pentylcyclopropan-1-amine

C11H23N — CID 123705841

IUPACN-ethyl-1-methyl-2-pentylcyclopropan-1-amine
SMILESCCCCCC1CC1(C)NCC
InChIInChI=1S/C11H23N/c1-4-6-7-8-10-9-11(10,3)12-5-2/h10,12H,4-9H2,1-3H3
InChIKeyMYRAEZYYPYQXBU-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-1-methyl-2-pentylcyclopropan-1-amine

N-ethyl-1-methyl-2-pentylcyclopropan-1-amine (PubChem CID 123705841) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-1-methyl-2-pentylcyclopropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-methyl-2-pentylcyclopropan-1-amine
PubChem CID123705841
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-1-methyl-2-pentylcyclopropan-1-amine
SMILESCCCCCC1CC1(C)NCC
InChIInChI=1S/C11H23N/c1-4-6-7-8-10-9-11(10,3)12-5-2/h10,12H,4-9H2,1-3H3
InChIKeyMYRAEZYYPYQXBU-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
1,1-dimethyl-2-octylcyclopropane
CID 15329257
1,1-dibromo-2-octylcyclopropane
CID 2780238
1,1-dichloro-2-octylcyclopropane
CID 10799099
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
3-dodecyl-2,2,6,6-tetramethylpiperidine
CID 173069280
2-butyl-1-methyl-1-nitrosocyclopropane
CID 88564371
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1-methyl-2-pentylbicyclo[1.1.0]butane
CID 90877052
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine
CID 11052065

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-2-pentylcyclopropan-1-amine?
The IUPAC name of N-ethyl-1-methyl-2-pentylcyclopropan-1-amine (CID 123705841) is N-ethyl-1-methyl-2-pentylcyclopropan-1-amine.
What is the SMILES notation for N-ethyl-1-methyl-2-pentylcyclopropan-1-amine?
The canonical SMILES for N-ethyl-1-methyl-2-pentylcyclopropan-1-amine is CCCCCC1CC1(C)NCC.
What is the InChIKey of N-ethyl-1-methyl-2-pentylcyclopropan-1-amine?
The InChIKey is MYRAEZYYPYQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-6-7-8-10-9-11(10,3)12-5-2/h10,12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-methyl-2-pentylcyclopropan-1-amine?
N-ethyl-1-methyl-2-pentylcyclopropan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-2-pentylcyclopropan-1-amine is sourced from PubChem (CID 123705841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).