1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol

C9H18N2O2 — CID 143974301

IUPAC1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol
SMILESNCC(O)CNCC1C=CCCO1
InChIInChI=1S/C9H18N2O2/c10-5-8(12)6-11-7-9-3-1-2-4-13-9/h1,3,8-9,11-12H,2,4-7,10H2
InChIKeyYKTYQZZFUKRVLM-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.76
Rot. Bonds5

About 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol

1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol (PubChem CID 143974301) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol
PubChem CID143974301
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol
SMILESNCC(O)CNCC1C=CCCO1
InChIInChI=1S/C9H18N2O2/c10-5-8(12)6-11-7-9-3-1-2-4-13-9/h1,3,8-9,11-12H,2,4-7,10H2
InChIKeyYKTYQZZFUKRVLM-UHFFFAOYSA-N
XLogP-0.76
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N'-ethyl-N'-methylpropane-1,3-diamine
CID 90861531
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]propane-1,3-diamine
CID 90894278
2-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methylamino]ethanol
CID 91058078
N'-[[3-(methylamino)-3,6-dihydro-2H-pyran-6-yl]methyl]propane-1,3-diamine
CID 91094343
N'-[(3-amino-3,6-dihydro-2H-pyran-6-yl)methyl]-N-methylpropane-1,3-diamine
CID 91198611
3-amino-6-[(2-hydroxyethylamino)methyl]-3,6-dihydro-2H-pyran-2-ol
CID 91417768
N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine
CID 143974244
3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propane-1,2-diol
CID 143974263
N'-(3,6-dihydro-2H-pyran-6-ylmethyl)propane-1,3-diamine;nitrosomethane
CID 143974290
(2S,3R,6S)-3-amino-6-[(2-hydroxyethylamino)methyl]-3,6-dihydro-2H-pyran-2-ol
CID 143974316
N'-(3,6-dihydro-2H-pyran-6-ylmethyl)-N-methylpropane-1,3-diamine
CID 143974324
2-(3,6-dihydro-2H-pyran-6-ylmethylamino)ethanol;ethanol
CID 143974337

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol?
The IUPAC name of 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol (CID 143974301) is 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol is NCC(O)CNCC1C=CCCO1.
What is the InChIKey of 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol?
The InChIKey is YKTYQZZFUKRVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-5-8(12)6-11-7-9-3-1-2-4-13-9/h1,3,8-9,11-12H,2,4-7,10H2.
What are the key properties of 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol?
1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol has a molecular weight of 186.25 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,6-dihydro-2H-pyran-6-ylmethylamino)propan-2-ol is sourced from PubChem (CID 143974301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).