N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine

C12H25NO — CID 157114602

IUPACN-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)OCC1(CN(C)C(C)C)CC1
InChIInChI=1S/C12H25NO/c1-10(2)13(5)8-12(6-7-12)9-14-11(3)4/h10-11H,6-9H2,1-5H3
InChIKeyQQNYIFXBJMFLNL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds6

About N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine

N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 157114602) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
PubChem CID157114602
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine
SMILESCC(C)OCC1(CN(C)C(C)C)CC1
InChIInChI=1S/C12H25NO/c1-10(2)13(5)8-12(6-7-12)9-14-11(3)4/h10-11H,6-9H2,1-5H3
InChIKeyQQNYIFXBJMFLNL-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 172348329
3-fluoro-N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pentan-1-amine
CID 177009851
3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-N-methylcyclobutan-1-amine
CID 135165017
3-Ethyl-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
CID 140959057
N-(3-butoxypropyl)-N-propylcyclopropanamine
CID 142623081
N-(cyclopropylmethyl)-4-methoxy-N-methylbutan-2-amine;propane
CID 145137527
1-Cyclopropyl-3-(propan-2-yloxymethyl)pyrrolidine
CID 146397828
N-(3-butoxypropyl)-N-(2-methylpropyl)cyclopropanamine
CID 153390629
N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine
CID 155689437
3-ethoxy-N-methyl-N-propan-2-ylbutan-1-amine
CID 155689489
N-ethyl-N-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]ethanamine
CID 155793897
N-(3-butoxypropyl)-N-methylcyclopropanamine
CID 156794680

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine (CID 157114602) is N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine is CC(C)OCC1(CN(C)C(C)C)CC1.
What is the InChIKey of N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is QQNYIFXBJMFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)13(5)8-12(6-7-12)9-14-11(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine?
N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 157114602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).