N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine

C12H25NO — CID 62528732

IUPACN-[2-(2-ethoxyethyl)pentyl]cyclopropanamine
SMILESCCCC(CCOCC)CNC1CC1
InChIInChI=1S/C12H25NO/c1-3-5-11(8-9-14-4-2)10-13-12-6-7-12/h11-13H,3-10H2,1-2H3
InChIKeyLQCUVZHDIQSMSW-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds9

About N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine

N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine (PubChem CID 62528732) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-ethoxyethyl)pentyl]cyclopropanamine
PubChem CID62528732
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[2-(2-ethoxyethyl)pentyl]cyclopropanamine
SMILESCCCC(CCOCC)CNC1CC1
InChIInChI=1S/C12H25NO/c1-3-5-11(8-9-14-4-2)10-13-12-6-7-12/h11-13H,3-10H2,1-2H3
InChIKeyLQCUVZHDIQSMSW-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132
N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine
CID 112570082
N-[2-(2-ethoxyethyl)-3-methylbutyl]cyclopropanamine
CID 62529954
2-(2-ethoxyethyl)-N-methylpentan-1-amine
CID 62530717
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
CID 62514503
N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
CID 81015192
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
2-[(cyclobutylamino)methyl]pentan-1-ol
CID 117241776
N-(2-ethoxyethyl)-4-methylcyclohexan-1-amine
CID 43387964
N-(2-ethylhexyl)cyclopropanamine
CID 43163806

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine (CID 62528732) is N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine is CCCC(CCOCC)CNC1CC1.
What is the InChIKey of N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine?
The InChIKey is LQCUVZHDIQSMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-11(8-9-14-4-2)10-13-12-6-7-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine?
N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine is sourced from PubChem (CID 62528732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).