N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine

C15H29NO — CID 62106401

IUPACN-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine
SMILESCOC1(CNC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)12-7-9-15(17-4,10-8-12)11-16-13-5-6-13/h12-13,16H,5-11H2,1-4H3
InChIKeyWZBQZACSIJUVHS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds4

About N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine

N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine (PubChem CID 62106401) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine
PubChem CID62106401
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine
SMILESCOC1(CNC2CC2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H29NO/c1-14(2,3)12-7-9-15(17-4,10-8-12)11-16-13-5-6-13/h12-13,16H,5-11H2,1-4H3
InChIKeyWZBQZACSIJUVHS-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine (CID 62106401) is N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine is COC1(CNC2CC2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine?
The InChIKey is WZBQZACSIJUVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)12-7-9-15(17-4,10-8-12)11-16-13-5-6-13/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine?
N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-methoxycyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 62106401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).