N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine

C12H23NO — CID 106676406

IUPACN-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine
SMILESCOC(C)(C)CC1CC1CNC1CC1
InChIInChI=1S/C12H23NO/c1-12(2,14-3)7-9-6-10(9)8-13-11-4-5-11/h9-11,13H,4-8H2,1-3H3
InChIKeyIAOBBTMGDOHCIY-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds6

About N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine

N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 106676406) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine
PubChem CID106676406
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine
SMILESCOC(C)(C)CC1CC1CNC1CC1
InChIInChI=1S/C12H23NO/c1-12(2,14-3)7-9-6-10(9)8-13-11-4-5-11/h9-11,13H,4-8H2,1-3H3
InChIKeyIAOBBTMGDOHCIY-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethyl)-2-(2-methoxy-2-methylpropyl)cyclopropane
CID 106676678
4-methoxy-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 104530318
4-ethyl-N-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 115656258
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173
N-[(2-tert-butylcyclopentyl)methyl]cyclopropanamine
CID 81034695
N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032436
N-(5-methoxy-2,5-dimethyl-2-propan-2-ylhexyl)cyclopropanamine
CID 103036979
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]cyclopropanamine
CID 81031141
N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine
CID 106666324
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine (CID 106676406) is N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine is COC(C)(C)CC1CC1CNC1CC1.
What is the InChIKey of N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is IAOBBTMGDOHCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,14-3)7-9-6-10(9)8-13-11-4-5-11/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine?
N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxy-2-methylpropyl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 106676406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).