7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine

C14H30N2O — CID 65296099

IUPAC7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
SMILESCOCC1CCN(CC(C)CCCC(C)N)C1
InChIInChI=1S/C14H30N2O/c1-12(5-4-6-13(2)15)9-16-8-7-14(10-16)11-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeyXCJAERGHGXGKRJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds8

About 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine

7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine (PubChem CID 65296099) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine.

Molecular Properties

Compound Name7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
PubChem CID65296099
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
SMILESCOCC1CCN(CC(C)CCCC(C)N)C1
InChIInChI=1S/C14H30N2O/c1-12(5-4-6-13(2)15)9-16-8-7-14(10-16)11-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeyXCJAERGHGXGKRJ-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205
6-methyl-7-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)heptan-2-amine
CID 79170849
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
6-methyl-7-(3-piperidin-1-ylpyrrolidin-1-yl)heptan-2-amine
CID 65296095
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-amine
CID 81080497
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044

Frequently Asked Questions

What is the IUPAC name of 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine?
The IUPAC name of 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine (CID 65296099) is 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine.
What is the SMILES notation for 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine?
The canonical SMILES for 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine is COCC1CCN(CC(C)CCCC(C)N)C1.
What is the InChIKey of 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine?
The InChIKey is XCJAERGHGXGKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(5-4-6-13(2)15)9-16-8-7-14(10-16)11-17-3/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine?
7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine is sourced from PubChem (CID 65296099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).