N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine

C15H31NO — CID 103036979

IUPACN-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
SMILESCOC(C)(C)CCC(C)(CNC1CC1)C(C)C
InChIInChI=1S/C15H31NO/c1-12(2)15(5,11-16-13-7-8-13)10-9-14(3,4)17-6/h12-13,16H,7-11H2,1-6H3
InChIKeySBWMWZMWQXZDHT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

About N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine

N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine (PubChem CID 103036979) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
PubChem CID103036979
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
SMILESCOC(C)(C)CCC(C)(CNC1CC1)C(C)C
InChIInChI=1S/C15H31NO/c1-12(2)15(5,11-16-13-7-8-13)10-9-14(3,4)17-6/h12-13,16H,7-11H2,1-6H3
InChIKeySBWMWZMWQXZDHT-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 104530318
1-N-cyclopropyl-2-N-(3-methoxy-3-methylbutyl)propane-1,2-diamine
CID 103019940
4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115656258
4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
N-[2,3-dimethyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
CID 102940634
N-(3-methoxy-3-methylbutyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106675122
N-(2,2,5-trimethylhexyl)cyclopropanamine
CID 62724341
N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151545

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine?
The IUPAC name of N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine (CID 103036979) is N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine.
What is the SMILES notation for N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine?
The canonical SMILES for N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine is COC(C)(C)CCC(C)(CNC1CC1)C(C)C.
What is the InChIKey of N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine?
The InChIKey is SBWMWZMWQXZDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)15(5,11-16-13-7-8-13)10-9-14(3,4)17-6/h12-13,16H,7-11H2,1-6H3.
What are the key properties of N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine?
N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine is sourced from PubChem (CID 103036979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).