4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine

C14H28N2O — CID 106976533

IUPAC4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine
SMILESCCCC1(CNC2(C)CCOCC2)CCCN1
InChIInChI=1S/C14H28N2O/c1-3-5-14(6-4-9-15-14)12-16-13(2)7-10-17-11-8-13/h15-16H,3-12H2,1-2H3
InChIKeyAQRCLMWWUYUOGR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.07
Rot. Bonds5

About 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine

4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine (PubChem CID 106976533) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine
PubChem CID106976533
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine
SMILESCCCC1(CNC2(C)CCOCC2)CCCN1
InChIInChI=1S/C14H28N2O/c1-3-5-14(6-4-9-15-14)12-16-13(2)7-10-17-11-8-13/h15-16H,3-12H2,1-2H3
InChIKeyAQRCLMWWUYUOGR-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dipropylpyrrolidine
CID 13332418
N-[(2-propylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 106976265
4-[(2-propylpyrrolidin-2-yl)methyl]-1,4-oxazepane
CID 106976397
2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
CID 106976388
2-(cyclopropylmethyl)-2-propylpyrrolidine
CID 66465576
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321
1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine
CID 106976495
2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467169
3-methyl-N-[(4-propylpiperidin-4-yl)methyl]oxan-3-amine
CID 114113974
2-pent-3-ynyl-2-propylpyrrolidine
CID 104806327
2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
CID 66468528
2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 66466930

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine?
The IUPAC name of 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine (CID 106976533) is 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine is CCCC1(CNC2(C)CCOCC2)CCCN1.
What is the InChIKey of 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine?
The InChIKey is AQRCLMWWUYUOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-14(6-4-9-15-14)12-16-13(2)7-10-17-11-8-13/h15-16H,3-12H2,1-2H3.
What are the key properties of 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine?
4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 106976533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).