N-[(1-butoxycycloheptyl)methyl]cyclopropanamine

C15H29NO — CID 62107297

IUPACN-[(1-butoxycycloheptyl)methyl]cyclopropanamine
SMILESCCCCOC1(CNC2CC2)CCCCCC1
InChIInChI=1S/C15H29NO/c1-2-3-12-17-15(13-16-14-8-9-14)10-6-4-5-7-11-15/h14,16H,2-13H2,1H3
InChIKeyVBHOFFNGDBBBQV-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.65
Rot. Bonds7

About N-[(1-butoxycycloheptyl)methyl]cyclopropanamine

N-[(1-butoxycycloheptyl)methyl]cyclopropanamine (PubChem CID 62107297) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(1-butoxycycloheptyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-butoxycycloheptyl)methyl]cyclopropanamine
PubChem CID62107297
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(1-butoxycycloheptyl)methyl]cyclopropanamine
SMILESCCCCOC1(CNC2CC2)CCCCCC1
InChIInChI=1S/C15H29NO/c1-2-3-12-17-15(13-16-14-8-9-14)10-6-4-5-7-11-15/h14,16H,2-13H2,1H3
InChIKeyVBHOFFNGDBBBQV-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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-octoxycyclohexyl)methyl]cyclopropanamine
CID 63476268
N-[[1-(2-butoxyethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62110714
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
N-[[1-(3-methylbutoxy)cycloheptyl]methyl]cyclopropanamine
CID 55036334
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 103180407
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]cyclopropanamine
CID 112589392
N-[[1-[2-(3-methoxypropoxy)ethoxy]cyclopentyl]methyl]cyclopropanamine
CID 103180337
N-[(1-pentoxycycloheptyl)methyl]propan-1-amine
CID 55192110
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
N-[[1-(4-methylcyclohexyl)oxycycloheptyl]methyl]cyclopropanamine
CID 63476043

Frequently Asked Questions

What is the IUPAC name of N-[(1-butoxycycloheptyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-butoxycycloheptyl)methyl]cyclopropanamine (CID 62107297) is N-[(1-butoxycycloheptyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-butoxycycloheptyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-butoxycycloheptyl)methyl]cyclopropanamine is CCCCOC1(CNC2CC2)CCCCCC1.
What is the InChIKey of N-[(1-butoxycycloheptyl)methyl]cyclopropanamine?
The InChIKey is VBHOFFNGDBBBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-12-17-15(13-16-14-8-9-14)10-6-4-5-7-11-15/h14,16H,2-13H2,1H3.
What are the key properties of N-[(1-butoxycycloheptyl)methyl]cyclopropanamine?
N-[(1-butoxycycloheptyl)methyl]cyclopropanamine has a molecular weight of 239.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butoxycycloheptyl)methyl]cyclopropanamine is sourced from PubChem (CID 62107297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).