N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine

C13H27N3O — CID 103059874

IUPACN-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)CC2COCCC2N)C1
InChIInChI=1S/C13H27N3O/c1-15-6-3-4-12(9-15)16(2)8-11-10-17-7-5-13(11)14/h11-13H,3-10,14H2,1-2H3
InChIKeyUWWCNKBIDJPVFI-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.38
Rot. Bonds3

About N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine

N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 103059874) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID103059874
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)CC2COCCC2N)C1
InChIInChI=1S/C13H27N3O/c1-15-6-3-4-12(9-15)16(2)8-11-10-17-7-5-13(11)14/h11-13H,3-10,14H2,1-2H3
InChIKeyUWWCNKBIDJPVFI-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(Methoxymethyl)piperidin-1-yl)ethan-1-amine
CID 66564433
[1-(Oxan-4-yl)piperidin-4-yl]methanamine
CID 53256416
1-(3-Ethoxypropyl)-3-methylpiperidin-4-amine
CID 54593711
N-isopentyl-N-(4-piperidyl)-N-tetrahydro-2H-pyran-4-ylamine
CID 91916173
(2-Aminoethyl)(methyl)[(oxan-3-yl)methyl]amine
CID 63727277
1-(Oxan-4-yl)piperidin-3-amine
CID 61297925
3-(3-Fluorobutoxymethyl)-1-piperidin-4-ylpiperidine
CID 156735038
1-Piperidin-4-yl-3-(2,2,2-trifluoroethoxymethyl)piperidine
CID 156735113
(3S,4S,5R)-3-fluoro-N,5-dimethyl-1-(oxan-4-yl)piperidin-4-amine
CID 176945950
(3R,4S,5R)-3-fluoro-N,5-dimethyl-1-(oxan-4-yl)piperidin-4-amine
CID 176945966
3-fluoro-N,5-dimethyl-1-(oxan-4-yl)piperidin-4-amine
CID 176946107
N-(oxan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905601

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine (CID 103059874) is N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)CC2COCCC2N)C1.
What is the InChIKey of N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is UWWCNKBIDJPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15-6-3-4-12(9-15)16(2)8-11-10-17-7-5-13(11)14/h11-13H,3-10,14H2,1-2H3.
What are the key properties of N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 241.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminooxan-3-yl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 103059874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).