(3-methoxypyrrolidin-3-yl)methanamine

C6H14N2O — CID 19694993

IUPAC(3-methoxypyrrolidin-3-yl)methanamine
SMILESCOC1(CN)CCNC1
InChIInChI=1S/C6H14N2O/c1-9-6(4-7)2-3-8-5-6/h8H,2-5,7H2,1H3
InChIKeyCXCJLLJNZYDKAT-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.68
Rot. Bonds2

About (3-methoxypyrrolidin-3-yl)methanamine

(3-methoxypyrrolidin-3-yl)methanamine (PubChem CID 19694993) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (3-methoxypyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(3-methoxypyrrolidin-3-yl)methanamine
PubChem CID19694993
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(3-methoxypyrrolidin-3-yl)methanamine
SMILESCOC1(CN)CCNC1
InChIInChI=1S/C6H14N2O/c1-9-6(4-7)2-3-8-5-6/h8H,2-5,7H2,1H3
InChIKeyCXCJLLJNZYDKAT-UHFFFAOYSA-N
XLogP-0.68
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxypiperidin-4-yl)methanamine
CID 84648969
(4-methoxyazepan-4-yl)methanamine
CID 105431048
3-(2,2-dimethylpropyl)-3-methoxypyrrolidine
CID 83816322
(3-methoxypyrrolidin-3-yl)methanesulfinic acid
CID 115015447
3-(cyclobutylmethyl)-3-methoxypyrrolidine
CID 105434266
3-(isocyanatomethyl)-3-methoxypyrrolidine
CID 105430502
(1-methoxycyclobutyl)methanamine
CID 66072375
4-[(3-methoxypyrrolidin-3-yl)methyl]phenol
CID 105460442
(4-methoxythian-4-yl)methanamine
CID 66072794
4-methoxy-4-(3-methylbutyl)piperidine
CID 105441855
3-ethyl-3-methoxyazetidine;hydrochloride
CID 66592095
(1-methoxy-3,3-dimethylcyclobutyl)methanamine
CID 127007242

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrrolidin-3-yl)methanamine?
The IUPAC name of (3-methoxypyrrolidin-3-yl)methanamine (CID 19694993) is (3-methoxypyrrolidin-3-yl)methanamine.
What is the SMILES notation for (3-methoxypyrrolidin-3-yl)methanamine?
The canonical SMILES for (3-methoxypyrrolidin-3-yl)methanamine is COC1(CN)CCNC1.
What is the InChIKey of (3-methoxypyrrolidin-3-yl)methanamine?
The InChIKey is CXCJLLJNZYDKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-9-6(4-7)2-3-8-5-6/h8H,2-5,7H2,1H3.
What are the key properties of (3-methoxypyrrolidin-3-yl)methanamine?
(3-methoxypyrrolidin-3-yl)methanamine has a molecular weight of 130.19 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrrolidin-3-yl)methanamine is sourced from PubChem (CID 19694993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).