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

C12H26N2O — CID 64570092

IUPAC6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
SMILESCOCC1CCN(CCCCC(C)N)C1
InChIInChI=1S/C12H26N2O/c1-11(13)5-3-4-7-14-8-6-12(9-14)10-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyDXJRDPFOTCPSFR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds7

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

6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine (PubChem CID 64570092) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
PubChem CID64570092
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
SMILESCOCC1CCN(CCCCC(C)N)C1
InChIInChI=1S/C12H26N2O/c1-11(13)5-3-4-7-14-8-6-12(9-14)10-15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyDXJRDPFOTCPSFR-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-ol
CID 64597053
7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
CID 65296099
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 64583951
6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine
CID 63973848
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
5-(3-methoxypyrrolidin-1-yl)pentan-2-amine
CID 103532229
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719
1-(2-iodoethyl)-3-(methoxymethyl)pyrrolidine
CID 131222845

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine?
The IUPAC name of 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine (CID 64570092) is 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine?
The canonical SMILES for 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine is COCC1CCN(CCCCC(C)N)C1.
What is the InChIKey of 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine?
The InChIKey is DXJRDPFOTCPSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(13)5-3-4-7-14-8-6-12(9-14)10-15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine?
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine is sourced from PubChem (CID 64570092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).