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

C9H18N2O — CID 126745797

IUPAC(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
SMILESCCCN[C@@H]1CC=C(CN)OC1
InChIInChI=1S/C9H18N2O/c1-2-5-11-8-3-4-9(6-10)12-7-8/h4,8,11H,2-3,5-7,10H2,1H3/t8-/m1/s1
InChIKeyTWCUQGCWMUIZHU-MRVPVSSYSA-N
MW170.26 g/mol
LogP0.62
Rot. Bonds4

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

(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine (PubChem CID 126745797) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine.

Molecular Properties

Compound Name(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
PubChem CID126745797
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine
SMILESCCCN[C@@H]1CC=C(CN)OC1
InChIInChI=1S/C9H18N2O/c1-2-5-11-8-3-4-9(6-10)12-7-8/h4,8,11H,2-3,5-7,10H2,1H3/t8-/m1/s1
InChIKeyTWCUQGCWMUIZHU-MRVPVSSYSA-N
XLogP0.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine?
The IUPAC name of (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine (CID 126745797) is (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine.
What is the SMILES notation for (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine?
The canonical SMILES for (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine is CCCN[C@@H]1CC=C(CN)OC1.
What is the InChIKey of (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine?
The InChIKey is TWCUQGCWMUIZHU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-5-11-8-3-4-9(6-10)12-7-8/h4,8,11H,2-3,5-7,10H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine?
(3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine has a molecular weight of 170.26 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-(aminomethyl)-N-propyl-3,4-dihydro-2H-pyran-3-amine is sourced from PubChem (CID 126745797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).