[4-(3-aminopropylamino)oxan-4-yl]methanol

C9H20N2O2 — CID 106297046

IUPAC[4-(3-aminopropylamino)oxan-4-yl]methanol
SMILESNCCCNC1(CO)CCOCC1
InChIInChI=1S/C9H20N2O2/c10-4-1-5-11-9(8-12)2-6-13-7-3-9/h11-12H,1-8,10H2
InChIKeyANRBEALGRNMSRS-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.53
Rot. Bonds5

About [4-(3-aminopropylamino)oxan-4-yl]methanol

[4-(3-aminopropylamino)oxan-4-yl]methanol (PubChem CID 106297046) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is [4-(3-aminopropylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-aminopropylamino)oxan-4-yl]methanol
PubChem CID106297046
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name[4-(3-aminopropylamino)oxan-4-yl]methanol
SMILESNCCCNC1(CO)CCOCC1
InChIInChI=1S/C9H20N2O2/c10-4-1-5-11-9(8-12)2-6-13-7-3-9/h11-12H,1-8,10H2
InChIKeyANRBEALGRNMSRS-UHFFFAOYSA-N
XLogP-0.53
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
CID 106298777
[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 61044749
[4-(2-tert-butylsulfonylethylamino)oxan-4-yl]methanol
CID 103713940
[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
CID 65080769
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropan-1-ol
CID 103878575
[4-(cyclobutylmethylamino)oxan-4-yl]methanol
CID 103713933
[1-(3-fluoropropylamino)cyclohexyl]methanol
CID 81106456
3-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpropanamide
CID 106297544
2-[[3-(aminomethyl)oxolan-3-yl]amino]ethanol;ethane
CID 144870956
[4-(cyclooctylmethylamino)oxan-4-yl]methanol
CID 114207828
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol
CID 65378452

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(3-aminopropylamino)oxan-4-yl]methanol (CID 106297046) is [4-(3-aminopropylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(3-aminopropylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(3-aminopropylamino)oxan-4-yl]methanol is NCCCNC1(CO)CCOCC1.
What is the InChIKey of [4-(3-aminopropylamino)oxan-4-yl]methanol?
The InChIKey is ANRBEALGRNMSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c10-4-1-5-11-9(8-12)2-6-13-7-3-9/h11-12H,1-8,10H2.
What are the key properties of [4-(3-aminopropylamino)oxan-4-yl]methanol?
[4-(3-aminopropylamino)oxan-4-yl]methanol has a molecular weight of 188.27 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropylamino)oxan-4-yl]methanol is sourced from PubChem (CID 106297046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).