N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine

C13H26N2O — CID 106602778

IUPACN,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
SMILESCN(CC1CCCN1)C1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-13(2)9-12(6-8-16-13)15(3)10-11-5-4-7-14-11/h11-12,14H,4-10H2,1-3H3
InChIKeyNTVNJOKIISRPIZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds3

About N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine

N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine (PubChem CID 106602778) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
PubChem CID106602778
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
SMILESCN(CC1CCCN1)C1CCOC(C)(C)C1
InChIInChI=1S/C13H26N2O/c1-13(2)9-12(6-8-16-13)15(3)10-11-5-4-7-14-11/h11-12,14H,4-10H2,1-3H3
InChIKeyNTVNJOKIISRPIZ-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N,2-dimethyl-N-(piperidin-2-ylmethyl)oxan-4-amine
CID 106622844
2,2-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxan-4-amine
CID 106622299
N,3,3-trimethyl-N-(pyrrolidin-2-ylmethyl)cyclopentan-1-amine
CID 106602628
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]oxolan-3-amine
CID 104870205
N-methyl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 82739396
N-methyl-N-(piperidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106622935
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-3-amine
CID 131134698
4-tert-butyl-N-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106602645
2-[(2,2-dimethyloxan-4-yl)-methylamino]acetic acid
CID 65056592
2,2-dimethyl-N-(piperidin-2-ylmethyl)oxan-4-amine
CID 106634291
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 106615927

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The IUPAC name of N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine (CID 106602778) is N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The canonical SMILES for N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine is CN(CC1CCCN1)C1CCOC(C)(C)C1.
What is the InChIKey of N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
The InChIKey is NTVNJOKIISRPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)9-12(6-8-16-13)15(3)10-11-5-4-7-14-11/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine?
N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 106602778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).