N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine

C17H29N3 — CID 63503822

IUPACN',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
SMILESCC1Cc2ccccc2N(CCNCCCN(C)C)C1
InChIInChI=1S/C17H29N3/c1-15-13-16-7-4-5-8-17(16)20(14-15)12-10-18-9-6-11-19(2)3/h4-5,7-8,15,18H,6,9-14H2,1-3H3
InChIKeyDRPVPZCZONZFIB-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.23
Rot. Bonds7

About N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine (PubChem CID 63503822) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
PubChem CID63503822
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine
SMILESCC1Cc2ccccc2N(CCNCCCN(C)C)C1
InChIInChI=1S/C17H29N3/c1-15-13-16-7-4-5-8-17(16)20(14-15)12-10-18-9-6-11-19(2)3/h4-5,7-8,15,18H,6,9-14H2,1-3H3
InChIKeyDRPVPZCZONZFIB-UHFFFAOYSA-N
XLogP2.23
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.23
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-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine (CID 63503822) is N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine is CC1Cc2ccccc2N(CCNCCCN(C)C)C1.
What is the InChIKey of N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine?
The InChIKey is DRPVPZCZONZFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-15-13-16-7-4-5-8-17(16)20(14-15)12-10-18-9-6-11-19(2)3/h4-5,7-8,15,18H,6,9-14H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 63503822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).