N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine

C15H29NO — CID 62109925

IUPACN-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCOC1(CNC2CC2)CCCC(C)C1
InChIInChI=1S/C15H29NO/c1-3-4-10-17-15(12-16-14-7-8-14)9-5-6-13(2)11-15/h13-14,16H,3-12H2,1-2H3
InChIKeyDMJVKBPWPAATIU-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds7

About N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine

N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine (PubChem CID 62109925) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
PubChem CID62109925
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
SMILESCCCCOC1(CNC2CC2)CCCC(C)C1
InChIInChI=1S/C15H29NO/c1-3-4-10-17-15(12-16-14-7-8-14)9-5-6-13(2)11-15/h13-14,16H,3-12H2,1-2H3
InChIKeyDMJVKBPWPAATIU-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
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-[(1-butoxycycloheptyl)methyl]cyclopropanamine
CID 62107297
N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine
CID 82958153
N-[(1-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62110714
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
1-(iodomethyl)-3-methyl-1-pentoxycyclohexane
CID 114773697
N-[[1-[2-(3-methoxypropoxy)ethoxy]-3-methylcyclohexyl]methyl]propan-1-amine
CID 103180376
N-[[3-methyl-1-(3-phenylpropoxy)cyclohexyl]methyl]ethanamine
CID 63473773
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
N-[(3-methyl-1-phenylmethoxycyclohexyl)methyl]propan-1-amine
CID 63473709

Frequently Asked Questions

What is the IUPAC name of N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine (CID 62109925) is N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine is CCCCOC1(CNC2CC2)CCCC(C)C1.
What is the InChIKey of N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is DMJVKBPWPAATIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-4-10-17-15(12-16-14-7-8-14)9-5-6-13(2)11-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine?
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 62109925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).