N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine

C15H31NO — CID 55106601

IUPACN-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine
SMILESCCCCOCCC(C)(CCC)CNC1CC1
InChIInChI=1S/C15H31NO/c1-4-6-11-17-12-10-15(3,9-5-2)13-16-14-7-8-14/h14,16H,4-13H2,1-3H3
InChIKeyOVLGXRNEAKHFNX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds11

About N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine

N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine (PubChem CID 55106601) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine
PubChem CID55106601
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine
SMILESCCCCOCCC(C)(CCC)CNC1CC1
InChIInChI=1S/C15H31NO/c1-4-6-11-17-12-10-15(3,9-5-2)13-16-14-7-8-14/h14,16H,4-13H2,1-3H3
InChIKeyOVLGXRNEAKHFNX-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine (CID 55106601) is N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine is CCCCOCCC(C)(CCC)CNC1CC1.
What is the InChIKey of N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine?
The InChIKey is OVLGXRNEAKHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-11-17-12-10-15(3,9-5-2)13-16-14-7-8-14/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine?
N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine is sourced from PubChem (CID 55106601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).