(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine

C6H12N2O — CID 90448006

IUPAC(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine
SMILESNCC1=CC[C@@H](N)CO1
InChIInChI=1S/C6H12N2O/c7-3-6-2-1-5(8)4-9-6/h2,5H,1,3-4,7-8H2/t5-/m1/s1
InChIKeySKTKEWZCWBGXRX-RXMQYKEDSA-N
MW128.17 g/mol
LogP-0.42
Rot. Bonds1

About (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine

(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine (PubChem CID 90448006) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine
PubChem CID90448006
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine
SMILESNCC1=CC[C@@H](N)CO1
InChIInChI=1S/C6H12N2O/c7-3-6-2-1-5(8)4-9-6/h2,5H,1,3-4,7-8H2/t5-/m1/s1
InChIKeySKTKEWZCWBGXRX-RXMQYKEDSA-N
XLogP-0.42
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2H-Pyran, 3,4-dihydro-2-aminomethyl-
CID 78508
3H-phentolamine
CID 20028870
1-(3,4-dihydro-2H-pyran-6-yl)-3,3,3-trifluoropropan-1-amine
CID 102647258
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanamine
CID 102649431
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethanamine
CID 103517267
2-Methoxycyclohexa-2,4-dien-1-amine
CID 19844402
1-(2,3-Dihydrofuran-5-yl)ethanamine
CID 21054622
(3R)-6-(aminomethyl)-2-methyl-3,4-dihydro-2H-pyran-3-amine
CID 60076819
(3R)-6-(ethylaminomethyl)-3,4-dihydro-2H-pyran-3-amine
CID 68111938
(1R)-1-(2-methyl-2,3-dihydrofuran-5-yl)propan-1-amine
CID 89017389
(1S)-1-(2,3-dihydrofuran-5-yl)propan-1-amine
CID 89246236
(3R)-6-[(1R)-1-aminoethyl]-3,4-dihydro-2H-pyran-3-amine
CID 90448010

Frequently Asked Questions

What is the IUPAC name of (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine (CID 90448006) is (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine is NCC1=CC[C@@H](N)CO1.
What is the InChIKey of (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is SKTKEWZCWBGXRX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12N2O/c7-3-6-2-1-5(8)4-9-6/h2,5H,1,3-4,7-8H2/t5-/m1/s1.
What are the key properties of (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine?
(3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 128.17 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 90448006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).