2-(aminomethyl)oxan-4-amine

C6H14N2O — CID 121396437

IUPAC2-(aminomethyl)oxan-4-amine
SMILESNCC1CC(N)CCO1
InChIInChI=1S/C6H14N2O/c7-4-6-3-5(8)1-2-9-6/h5-6H,1-4,7-8H2
InChIKeyKKOKAHWYLPWGKX-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.55
Rot. Bonds1

About 2-(aminomethyl)oxan-4-amine

2-(aminomethyl)oxan-4-amine (PubChem CID 121396437) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(aminomethyl)oxan-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)oxan-4-amine
PubChem CID121396437
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-(aminomethyl)oxan-4-amine
SMILESNCC1CC(N)CCO1
InChIInChI=1S/C6H14N2O/c7-4-6-3-5(8)1-2-9-6/h5-6H,1-4,7-8H2
InChIKeyKKOKAHWYLPWGKX-UHFFFAOYSA-N
XLogP-0.55
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-aminooxan-2-yl]methanol
CID 121305944
(2R,4R)-2-ethyloxan-4-amine
CID 82651052
[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride
CID 170902129
2-(4-aminooxan-2-yl)acetic acid;hydrochloride
CID 154856623
[(2R)-oxolan-2-yl]methanamine
CID 2734124
(3S)-6-(aminomethyl)oxan-3-amine
CID 89349437
(2R,4S)-2-cyclopropyloxan-4-amine
CID 82651260
(2S,4S)-2-(trifluoromethyl)oxan-4-amine
CID 82652984
[(2S,4R)-2-methyloxan-4-yl]methanamine
CID 95335813
(2R,4S)-2-tert-butyloxan-4-amine
CID 95335740
2-(trifluoromethyl)oxan-4-amine
CID 130167257
3-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 64504353

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)oxan-4-amine?
The IUPAC name of 2-(aminomethyl)oxan-4-amine (CID 121396437) is 2-(aminomethyl)oxan-4-amine.
What is the SMILES notation for 2-(aminomethyl)oxan-4-amine?
The canonical SMILES for 2-(aminomethyl)oxan-4-amine is NCC1CC(N)CCO1.
What is the InChIKey of 2-(aminomethyl)oxan-4-amine?
The InChIKey is KKOKAHWYLPWGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-4-6-3-5(8)1-2-9-6/h5-6H,1-4,7-8H2.
What are the key properties of 2-(aminomethyl)oxan-4-amine?
2-(aminomethyl)oxan-4-amine has a molecular weight of 130.19 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)oxan-4-amine is sourced from PubChem (CID 121396437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).