N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine

C15H27NO — CID 62456658

IUPACN-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine
SMILESCC1CC=CCC1COCCCCNC1CC1
InChIInChI=1S/C15H27NO/c1-13-6-2-3-7-14(13)12-17-11-5-4-10-16-15-8-9-15/h2-3,13-16H,4-12H2,1H3
InChIKeyGDYADRGUDRJYJD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.14
Rot. Bonds8

About N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine

N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine (PubChem CID 62456658) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine
PubChem CID62456658
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine
SMILESCC1CC=CCC1COCCCCNC1CC1
InChIInChI=1S/C15H27NO/c1-13-6-2-3-7-14(13)12-17-11-5-4-10-16-15-8-9-15/h2-3,13-16H,4-12H2,1H3
InChIKeyGDYADRGUDRJYJD-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine?
The IUPAC name of N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine (CID 62456658) is N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine is CC1CC=CCC1COCCCCNC1CC1.
What is the InChIKey of N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine?
The InChIKey is GDYADRGUDRJYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-13-6-2-3-7-14(13)12-17-11-5-4-10-16-15-8-9-15/h2-3,13-16H,4-12H2,1H3.
What are the key properties of N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine?
N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine has a molecular weight of 237.39 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]butyl]cyclopropanamine is sourced from PubChem (CID 62456658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).