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

C14H29NO — CID 171727679

IUPACN,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC(C)OCC1(CN(C)CC(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-12(2)16-11-14(7-8-14)10-15(6)9-13(3,4)5/h12H,7-11H2,1-6H3
InChIKeyYVKYMRIOJVDMRR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.17
Rot. Bonds6

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

N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 171727679) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID171727679
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC(C)OCC1(CN(C)CC(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-12(2)16-11-14(7-8-14)10-15(6)9-13(3,4)5/h12H,7-11H2,1-6H3
InChIKeyYVKYMRIOJVDMRR-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine with MolForge

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Related Compounds

(2R)-2-fluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylbutan-1-amine
CID 167216525
3-Fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 169658913
3-Fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170387470
3,4-Difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170412692
1-[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 170418479
[1-[[Ethyl(propyl)amino]methyl]cyclopropyl]methyl hypofluorite
CID 170772014
(3S)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170925988
(3R)-3-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170926008
(3S,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170926107
(3R,4S)-3,4-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170926398
3-Fluoro-4-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 172328440
3-(Fluoromethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 172348369

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine (CID 171727679) is N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine is CC(C)OCC1(CN(C)CC(C)(C)C)CC1.
What is the InChIKey of N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is YVKYMRIOJVDMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-12(2)16-11-14(7-8-14)10-15(6)9-13(3,4)5/h12H,7-11H2,1-6H3.
What are the key properties of N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 171727679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).