N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine

C13H26N2O — CID 115119209

IUPACN-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine
SMILESCC(C)(CNC1CCNC1)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-13(2,11-4-7-16-8-5-11)10-15-12-3-6-14-9-12/h11-12,14-15H,3-10H2,1-2H3
InChIKeyVBYRHETXQCQNLS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds4

About N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine

N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine (PubChem CID 115119209) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine
PubChem CID115119209
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine
SMILESCC(C)(CNC1CCNC1)C1CCOCC1
InChIInChI=1S/C13H26N2O/c1-13(2,11-4-7-16-8-5-11)10-15-12-3-6-14-9-12/h11-12,14-15H,3-10H2,1-2H3
InChIKeyVBYRHETXQCQNLS-UHFFFAOYSA-N
XLogP1.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-8-oxa-2-azaspiro(4.5)decan-4-amine dihydrochloride
CID 136574201
N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 136574202
Methyl-[2-pyrrolidin-1-yl-1-(tetrahydro-pyran-4-yl)-ethyl]-amine
CID 44784980
N-methyl-1-(oxan-3-ylmethyl)pyrrolidin-3-amine
CID 61867543
1-Methyl-8-oxa-2-azaspiro[4.5]decane
CID 62354788
(R)-N-Methyl-1-((tetrahydro-2H-pyran-4-yl)methyl)pyrrolidin-3-amine
CID 63712222
(1S)-1-(oxan-4-yl)-2-pyrrolidin-1-ylethanamine
CID 68030349
1-(2-Oxa-8-azaspiro[4.5]decan-8-yl)propan-2-amine
CID 69004966
2-Methyl-8-oxa-2-azaspiro[4.5]decan-4-amine
CID 83816210
(4R)-4-methyl-2-oxa-8-azaspiro[4.5]decane
CID 89206971
(3R,4S)-1-methyl-4-(oxan-4-yl)pyrrolidin-3-amine
CID 89535964
(3R)-N-(3-methyloxan-4-yl)pyrrolidin-3-amine
CID 91584709

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine (CID 115119209) is N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine is CC(C)(CNC1CCNC1)C1CCOCC1.
What is the InChIKey of N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine?
The InChIKey is VBYRHETXQCQNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2,11-4-7-16-8-5-11)10-15-12-3-6-14-9-12/h11-12,14-15H,3-10H2,1-2H3.
What are the key properties of N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine?
N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 115119209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).