N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine

C18H25N3 — CID 3144393

IUPACN',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine
SMILESCc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCC3
InChIInChI=1S/C18H25N3/c1-13-8-9-17-15(12-13)18(19-10-5-11-21(2)3)14-6-4-7-16(14)20-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyAJCIMOOINDLSME-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.40
Rot. Bonds5

About N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine

N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine (PubChem CID 3144393) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine
PubChem CID3144393
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine
SMILESCc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCC3
InChIInChI=1S/C18H25N3/c1-13-8-9-17-15(12-13)18(19-10-5-11-21(2)3)14-6-4-7-16(14)20-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKeyAJCIMOOINDLSME-UHFFFAOYSA-N
XLogP3.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine (CID 3144393) is N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine is Cc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCC3.
What is the InChIKey of N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine?
The InChIKey is AJCIMOOINDLSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13-8-9-17-15(12-13)18(19-10-5-11-21(2)3)14-6-4-7-16(14)20-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propane-1,3-diamine is sourced from PubChem (CID 3144393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).