1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine

C14H30N2O — CID 64569510

IUPAC1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCC(COC)C1
InChIInChI=1S/C14H30N2O/c1-4-6-14(15-8-5-2)11-16-9-7-13(10-16)12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyIIAZRBCPKMMMSC-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds9

About 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine

1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine (PubChem CID 64569510) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
PubChem CID64569510
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCC(COC)C1
InChIInChI=1S/C14H30N2O/c1-4-6-14(15-8-5-2)11-16-9-7-13(10-16)12-17-3/h13-15H,4-12H2,1-3H3
InChIKeyIIAZRBCPKMMMSC-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
CID 106586522
N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64569701
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
N,N-dimethyl-1-[2-(propylamino)pentyl]piperidin-4-amine
CID 62043146
1-methoxy-N-propyl-3-(4-propylpiperidin-1-yl)propan-2-amine
CID 107505652
1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine
CID 63973458
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]pentan-2-amine
CID 64582200
3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
CID 106588520
N,N-diethyl-1-[3-methoxy-2-(propylamino)propyl]pyrrolidin-3-amine
CID 107505722
3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine?
The IUPAC name of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine (CID 64569510) is 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine?
The canonical SMILES for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine is CCCNC(CCC)CN1CCC(COC)C1.
What is the InChIKey of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine?
The InChIKey is IIAZRBCPKMMMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-14(15-8-5-2)11-16-9-7-13(10-16)12-17-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine?
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 64569510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).