N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine

C15H30N2O — CID 79069344

IUPACN,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)C1CCOCC1)N1CCCC1
InChIInChI=1S/C15H30N2O/c1-4-15(2,17-9-5-6-10-17)14(16-3)13-7-11-18-12-8-13/h13-14,16H,4-12H2,1-3H3
InChIKeyOCOOJIJZSPSBPG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine

N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 79069344) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID79069344
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine
SMILESCCC(C)(C(NC)C1CCOCC1)N1CCCC1
InChIInChI=1S/C15H30N2O/c1-4-15(2,17-9-5-6-10-17)14(16-3)13-7-11-18-12-8-13/h13-14,16H,4-12H2,1-3H3
InChIKeyOCOOJIJZSPSBPG-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylcyclohexyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060660
2-methyl-1-(oxan-4-yl)-2-piperidin-1-ylbutan-1-ol
CID 79065730
N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069582
(1-cyclopentyl-2-methyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105241054
2-methyl-1-(4-methylcyclohexyl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79059842
[1-(4-ethylcyclohexyl)-2-methyl-2-morpholin-4-ylbutyl]hydrazine
CID 105241515
N,3-dimethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-amine
CID 79055647
1-cyclopropyl-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056145
1-cyclopropyl-N,2-dimethyl-2-morpholin-4-ylpropan-1-amine
CID 79050729
1-cyclopentyl-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 79056224
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
N,2,2-trimethyl-1-(oxan-4-yl)-3-piperazin-1-ylpropan-1-amine
CID 116960873

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine (CID 79069344) is N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine is CCC(C)(C(NC)C1CCOCC1)N1CCCC1.
What is the InChIKey of N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is OCOOJIJZSPSBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-15(2,17-9-5-6-10-17)14(16-3)13-7-11-18-12-8-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine?
N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 79069344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).