4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine

C18H25N3 — CID 103001497

IUPAC4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
SMILESCN(c1ccnc2cc(N)ccc12)C1CCC(C)(C)CC1
InChIInChI=1S/C18H25N3/c1-18(2)9-6-14(7-10-18)21(3)17-8-11-20-16-12-13(19)4-5-15(16)17/h4-5,8,11-12,14H,6-7,9-10,19H2,1-3H3
InChIKeyXDIPOWLBPUPNEQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.22
Rot. Bonds2

About 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine

4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine (PubChem CID 103001497) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
PubChem CID103001497
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine
SMILESCN(c1ccnc2cc(N)ccc12)C1CCC(C)(C)CC1
InChIInChI=1S/C18H25N3/c1-18(2)9-6-14(7-10-18)21(3)17-8-11-20-16-12-13(19)4-5-15(16)17/h4-5,8,11-12,14H,6-7,9-10,19H2,1-3H3
InChIKeyXDIPOWLBPUPNEQ-UHFFFAOYSA-N
XLogP4.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-methyl-4-N-(oxan-4-yl)quinoline-4,7-diamine
CID 103000505
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
4-N-methyl-4-N-propan-2-ylquinoline-4,7-diamine
CID 103000007
2-N-(4,4-dimethylcyclohexyl)-2-N-methylpyrazine-2,5-diamine
CID 80653292
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]quinoline-4,7-diamine
CID 103000432
4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
CID 103000945
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000471
4-N-(4,4-dimethylcyclohexyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747912
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine?
The IUPAC name of 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine (CID 103001497) is 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine.
What is the SMILES notation for 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine?
The canonical SMILES for 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine is CN(c1ccnc2cc(N)ccc12)C1CCC(C)(C)CC1.
What is the InChIKey of 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine?
The InChIKey is XDIPOWLBPUPNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2)9-6-14(7-10-18)21(3)17-8-11-20-16-12-13(19)4-5-15(16)17/h4-5,8,11-12,14H,6-7,9-10,19H2,1-3H3.
What are the key properties of 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine?
4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine has a molecular weight of 283.42 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,4-dimethylcyclohexyl)-4-N-methylquinoline-4,7-diamine is sourced from PubChem (CID 103001497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).