N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine

C15H31N3O — CID 81464857

IUPACN,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
SMILESCCCNC1CCOCC1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-5-7-16-13-6-8-19-11-15(13)18-9-12(2)14(10-18)17(3)4/h12-16H,5-11H2,1-4H3
InChIKeyOYQLQAZBDYIQHN-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds5

About N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine

N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine (PubChem CID 81464857) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
PubChem CID81464857
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine
SMILESCCCNC1CCOCC1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C15H31N3O/c1-5-7-16-13-6-8-19-11-15(13)18-9-12(2)14(10-18)17(3)4/h12-16H,5-11H2,1-4H3
InChIKeyOYQLQAZBDYIQHN-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,4-trimethyl-1-[2-(propylamino)cycloheptyl]pyrrolidin-3-amine
CID 81465092
1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452258
3-(3-methoxypyrrolidin-1-yl)-N-propyloxan-4-amine
CID 103532098
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-propyloxan-4-amine
CID 83227452
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
N-propyl-3-(3,3,4-trimethylpiperazin-1-yl)oxan-4-amine
CID 63610196
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
CID 62886977
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcycloheptan-1-amine
CID 79188611
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224
3-N-methyl-3-N-(oxolan-3-yl)-4-N-propyloxane-3,4-diamine
CID 82735228
3-(3,4-dimethoxypyrrolidin-1-yl)-N-ethyloxan-4-amine
CID 103532587
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine?
The IUPAC name of N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine (CID 81464857) is N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine is CCCNC1CCOCC1N1CC(C)C(N(C)C)C1.
What is the InChIKey of N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine?
The InChIKey is OYQLQAZBDYIQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-7-16-13-6-8-19-11-15(13)18-9-12(2)14(10-18)17(3)4/h12-16H,5-11H2,1-4H3.
What are the key properties of N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine?
N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[4-(propylamino)oxan-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 81464857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).