N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine

C15H27NO — CID 55078153

IUPACN-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCC1CC=CCC1C
InChIInChI=1S/C15H27NO/c1-3-15(10-16-14-8-9-14)17-11-13-7-5-4-6-12(13)2/h4-5,12-16H,3,6-11H2,1-2H3
InChIKeyZBSJETRXEQKDHC-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds7

About N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine

N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine (PubChem CID 55078153) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine
PubChem CID55078153
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCC1CC=CCC1C
InChIInChI=1S/C15H27NO/c1-3-15(10-16-14-8-9-14)17-11-13-7-5-4-6-12(13)2/h4-5,12-16H,3,6-11H2,1-2H3
InChIKeyZBSJETRXEQKDHC-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine?
The IUPAC name of N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine (CID 55078153) is N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine?
The canonical SMILES for N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine is CCC(CNC1CC1)OCC1CC=CCC1C.
What is the InChIKey of N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine?
The InChIKey is ZBSJETRXEQKDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-15(10-16-14-8-9-14)17-11-13-7-5-4-6-12(13)2/h4-5,12-16H,3,6-11H2,1-2H3.
What are the key properties of N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine?
N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine is sourced from PubChem (CID 55078153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).