1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine

C18H25N3 — CID 79117135

IUPAC1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C18H25N3/c1-19-16-8-10-17(11-9-16)21(2)13-15-6-3-5-14-7-4-12-20-18(14)15/h3-7,12,16-17,19H,8-11,13H2,1-2H3
InChIKeyAAWQXYAUGGMBAE-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.20
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 79117135) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
PubChem CID79117135
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C18H25N3/c1-19-16-8-10-17(11-9-16)21(2)13-15-6-3-5-14-7-4-12-20-18(14)15/h3-7,12,16-17,19H,8-11,13H2,1-2H3
InChIKeyAAWQXYAUGGMBAE-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-1,1-dioxo-N-(quinolin-8-ylmethyl)thiolan-3-amine
CID 51598744
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
N-methyl-1-(quinolin-8-ylmethylsulfonyl)piperidin-4-amine
CID 119980282
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 129427598
trans-(1S,2S)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 96567800
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine (CID 79117135) is 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine is CNC1CCC(N(C)Cc2cccc3cccnc23)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is AAWQXYAUGGMBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-19-16-8-10-17(11-9-16)21(2)13-15-6-3-5-14-7-4-12-20-18(14)15/h3-7,12,16-17,19H,8-11,13H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79117135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).