10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

C19H19NO — CID 24837507

IUPAC10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
SMILESCNCCCc1cc(=O)c2ccccc2c2ccccc12
InChIInChI=1S/C19H19NO/c1-20-12-6-7-14-13-19(21)18-11-5-4-10-17(18)16-9-3-2-8-15(14)16/h2-5,8-11,13,20H,6-7,12H2,1H3
InChIKeyBDWMHNYZLNZXDO-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.51
Rot. Bonds4

About 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one

10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one (PubChem CID 24837507) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.

Molecular Properties

Compound Name10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
PubChem CID24837507
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one
SMILESCNCCCc1cc(=O)c2ccccc2c2ccccc12
InChIInChI=1S/C19H19NO/c1-20-12-6-7-14-13-19(21)18-11-5-4-10-17(18)16-9-3-2-8-15(14)16/h2-5,8-11,13,20H,6-7,12H2,1H3
InChIKeyBDWMHNYZLNZXDO-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143571981
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4-fluoro-3-[3-(methylamino)propyl]aniline
CID 84658598
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
CID 142942330
3-[3-(methylamino)propyl]benzene-1,2-diol
CID 84732350
2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde
CID 59991777
3-(2-chloroquinolin-3-yl)-N-methylpropan-1-amine
CID 116985191
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
3-(7-bromo-1-benzofuran-3-yl)-N-methylpropan-1-amine
CID 117197482
3-(7-chloro-1-methylindol-3-yl)-N-methylpropan-1-amine
CID 82496899
3-(7-fluoro-1-benzofuran-3-yl)-N-methylpropan-1-amine
CID 117197480
N,2-dimethyl-6-[3-(methylamino)propyl]aniline
CID 143047575

Frequently Asked Questions

What is the IUPAC name of 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The IUPAC name of 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one (CID 24837507) is 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one.
What is the SMILES notation for 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The canonical SMILES for 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one is CNCCCc1cc(=O)c2ccccc2c2ccccc12.
What is the InChIKey of 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
The InChIKey is BDWMHNYZLNZXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-20-12-6-7-14-13-19(21)18-11-5-4-10-17(18)16-9-3-2-8-15(14)16/h2-5,8-11,13,20H,6-7,12H2,1H3.
What are the key properties of 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one?
10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one has a molecular weight of 277.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(methylamino)propyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one is sourced from PubChem (CID 24837507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).