N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C12H25NO — CID 103984514

IUPACN-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCOCC1(CNCC(C)C)CCCC1
InChIInChI=1S/C12H25NO/c1-11(2)8-13-9-12(10-14-3)6-4-5-7-12/h11,13H,4-10H2,1-3H3
InChIKeyBDQARTHBPPPBNG-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds6

About N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 103984514) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID103984514
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCOCC1(CNCC(C)C)CCCC1
InChIInChI=1S/C12H25NO/c1-11(2)8-13-9-12(10-14-3)6-4-5-7-12/h11,13H,4-10H2,1-3H3
InChIKeyBDQARTHBPPPBNG-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 103984514) is N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine is COCC1(CNCC(C)C)CCCC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BDQARTHBPPPBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)8-13-9-12(10-14-3)6-4-5-7-12/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103984514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).