N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine

C15H31NO — CID 55082814

IUPACN-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
SMILESCCCCOCCC(CNC1CC1)CC(C)C
InChIInChI=1S/C15H31NO/c1-4-5-9-17-10-8-14(11-13(2)3)12-16-15-6-7-15/h13-16H,4-12H2,1-3H3
InChIKeyOTHOLNLDAYHUAO-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds11

About N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine

N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine (PubChem CID 55082814) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
PubChem CID55082814
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
SMILESCCCCOCCC(CNC1CC1)CC(C)C
InChIInChI=1S/C15H31NO/c1-4-5-9-17-10-8-14(11-13(2)3)12-16-15-6-7-15/h13-16H,4-12H2,1-3H3
InChIKeyOTHOLNLDAYHUAO-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
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-methylpropyl)undecyl]cyclopropanamine
CID 63497802
N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
CID 103412314
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
CID 62514503
N-[4-methyl-2-(2-methylpropyl)pentyl]cyclopropanamine
CID 62530308
N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine
CID 62528732
N-[2-[(2-bromophenyl)methyl]-4-butoxybutyl]cyclopropanamine
CID 62514411
N-[4-methyl-2-(2-phenoxyethyl)pentyl]cyclopropanamine
CID 62529112
N-[4,6-dimethyl-2-(2-methylpropyl)heptyl]cyclopropanamine
CID 114201229
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132
1-butoxy-5-methyl-N-propylhexan-3-amine
CID 115003182
N-(3-butoxypropyl)cyclopropanamine
CID 62450977

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine (CID 55082814) is N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine is CCCCOCCC(CNC1CC1)CC(C)C.
What is the InChIKey of N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine?
The InChIKey is OTHOLNLDAYHUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-5-9-17-10-8-14(11-13(2)3)12-16-15-6-7-15/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine?
N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 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)-4-methylpentyl]cyclopropanamine is sourced from PubChem (CID 55082814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).