4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C15H26N2O — CID 114247635

IUPAC4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESC=C(CNC(C)C)CN1CC2CC3CC2C1C3O
InChIInChI=1S/C15H26N2O/c1-9(2)16-6-10(3)7-17-8-12-4-11-5-13(12)14(17)15(11)18/h9,11-16,18H,3-8H2,1-2H3
InChIKeyVIELHCKFBPUHCH-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.24
Rot. Bonds5

About 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 114247635) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID114247635
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESC=C(CNC(C)C)CN1CC2CC3CC2C1C3O
InChIInChI=1S/C15H26N2O/c1-9(2)16-6-10(3)7-17-8-12-4-11-5-13(12)14(17)15(11)18/h9,11-16,18H,3-8H2,1-2H3
InChIKeyVIELHCKFBPUHCH-UHFFFAOYSA-N
XLogP1.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol with MolForge

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Related Compounds

4-Azatricyclo[4.2.1.0,3,7]nonan-2-ol
CID 54857251
4-(3-Amino-1,1,1-trifluoropropan-2-yl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247355
4-(3-Amino-1,1,1-trifluorobutan-2-yl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247358
4-(4-Amino-1,1,1-trifluorobutan-2-yl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247363
4-Methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 130174273
(1R,2S,3S,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 55288164
(1S,2R,3S,6R,7S)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 98148917
(1R,2R,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 99965244
(1R,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 99965245
(1S,2R,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 99965248
(1S,2S,3R,6S,7R)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 99965251
4-(4-Amino-3,3-dimethylbutyl)-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247361

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 114247635) is 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is C=C(CNC(C)C)CN1CC2CC3CC2C1C3O.
What is the InChIKey of 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is VIELHCKFBPUHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-9(2)16-6-10(3)7-17-8-12-4-11-5-13(12)14(17)15(11)18/h9,11-16,18H,3-8H2,1-2H3.
What are the key properties of 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 114247635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).