1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine

C19H29NO — CID 166237285

IUPAC1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine
SMILESCC(CC1CCOC1)NCC1CCCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-15(12-16-10-11-21-14-16)20-13-18-8-3-2-6-17-7-4-5-9-19(17)18/h4-5,7,9,15-16,18,20H,2-3,6,8,10-14H2,1H3
InChIKeyVFGMHAKNUIWSGI-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.90
Rot. Bonds5

About 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine

1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine (PubChem CID 166237285) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine
PubChem CID166237285
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine
SMILESCC(CC1CCOC1)NCC1CCCCc2ccccc21
InChIInChI=1S/C19H29NO/c1-15(12-16-10-11-21-14-16)20-13-18-8-3-2-6-17-7-4-5-9-19(17)18/h4-5,7,9,15-16,18,20H,2-3,6,8,10-14H2,1H3
InChIKeyVFGMHAKNUIWSGI-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine?
The IUPAC name of 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine (CID 166237285) is 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine is CC(CC1CCOC1)NCC1CCCCc2ccccc21.
What is the InChIKey of 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine?
The InChIKey is VFGMHAKNUIWSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15(12-16-10-11-21-14-16)20-13-18-8-3-2-6-17-7-4-5-9-19(17)18/h4-5,7,9,15-16,18,20H,2-3,6,8,10-14H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine?
1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 166237285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).