N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine

C19H27N3 — CID 82450691

IUPACN-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
SMILESCCCNCc1c2c(nc3c(C)c(C)ccc13)CCN(C)C2
InChIInChI=1S/C19H27N3/c1-5-9-20-11-16-15-7-6-13(2)14(3)19(15)21-18-8-10-22(4)12-17(16)18/h6-7,20H,5,8-12H2,1-4H3
InChIKeyDKWSNPWVGCLQBZ-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.34
Rot. Bonds4

About N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine

N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine (PubChem CID 82450691) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
PubChem CID82450691
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
SMILESCCCNCc1c2c(nc3c(C)c(C)ccc13)CCN(C)C2
InChIInChI=1S/C19H27N3/c1-5-9-20-11-16-15-7-6-13(2)14(3)19(15)21-18-8-10-22(4)12-17(16)18/h6-7,20H,5,8-12H2,1-4H3
InChIKeyDKWSNPWVGCLQBZ-UHFFFAOYSA-N
XLogP3.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
CID 82450662
N-[(2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
CID 82450082
(7-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451741
2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82450693
N-[(2-ethyl-6-fluoro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine
CID 82451155
N-[(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450173
1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82451762
(6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82451582
N-methyl-1-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82449912
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82450181
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450182
1-(8-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450491

Frequently Asked Questions

What is the IUPAC name of N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine (CID 82450691) is N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine is CCCNCc1c2c(nc3c(C)c(C)ccc13)CCN(C)C2.
What is the InChIKey of N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
The InChIKey is DKWSNPWVGCLQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-5-9-20-11-16-15-7-6-13(2)14(3)19(15)21-18-8-10-22(4)12-17(16)18/h6-7,20H,5,8-12H2,1-4H3.
What are the key properties of N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine?
N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine has a molecular weight of 297.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-1-amine is sourced from PubChem (CID 82450691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).