1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine

C16H21N3 — CID 23026816

IUPAC1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3/c1-17-13-7-9-14(10-8-13)18-16-11-6-12-4-2-3-5-15(12)19-16/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,19)
InChIKeyWYTDEHOMHHUMER-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.18
Rot. Bonds3

About 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine

1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine (PubChem CID 23026816) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine
PubChem CID23026816
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccc3ccccc3n2)CC1
InChIInChI=1S/C16H21N3/c1-17-13-7-9-14(10-8-13)18-16-11-6-12-4-2-3-5-15(12)19-16/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,19)
InChIKeyWYTDEHOMHHUMER-UHFFFAOYSA-N
XLogP3.18
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine (CID 23026816) is 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine is CNC1CCC(Nc2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine?
The InChIKey is WYTDEHOMHHUMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-13-7-9-14(10-8-13)18-16-11-6-12-4-2-3-5-15(12)19-16/h2-6,11,13-14,17H,7-10H2,1H3,(H,18,19).
What are the key properties of 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine?
1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine has a molecular weight of 255.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-quinolin-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 23026816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).