4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine

C18H23N3 — CID 107846198

IUPAC4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
SMILESCc1cc(NCCC2=CCCCC2)c2cc(N)ccc2n1
InChIInChI=1S/C18H23N3/c1-13-11-18(16-12-15(19)7-8-17(16)21-13)20-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10,19H2,1H3,(H,20,21)
InChIKeyMFZNGTYPAXHSKS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.43
Rot. Bonds4

About 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine

4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine (PubChem CID 107846198) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
PubChem CID107846198
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
SMILESCc1cc(NCCC2=CCCCC2)c2cc(N)ccc2n1
InChIInChI=1S/C18H23N3/c1-13-11-18(16-12-15(19)7-8-17(16)21-13)20-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10,19H2,1H3,(H,20,21)
InChIKeyMFZNGTYPAXHSKS-UHFFFAOYSA-N
XLogP4.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-[2-(cyclopenten-1-yl)ethylamino]-3H-quinazolin-4-one
CID 136757307
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 107845952
4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
CID 107846044
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 18588781
4-N-(2,2-difluoroethyl)-2-methylquinoline-4,6-diamine
CID 113383859
N-[3-[(6-amino-2-methylquinolin-4-yl)amino]propyl]methanesulfonamide
CID 106333831
4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 103844191
N'-(2,6-dimethylquinolin-4-yl)ethane-1,2-diamine
CID 3132199
2-methyl-4-N-(thiolan-3-ylmethyl)quinoline-4,6-diamine
CID 107294982
6-(difluoromethoxy)-N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylquinolin-4-amine
CID 133390442
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907398
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine?
The IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine (CID 107846198) is 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine is Cc1cc(NCCC2=CCCCC2)c2cc(N)ccc2n1.
What is the InChIKey of 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine?
The InChIKey is MFZNGTYPAXHSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-11-18(16-12-15(19)7-8-17(16)21-13)20-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10,19H2,1H3,(H,20,21).
What are the key properties of 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine?
4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine has a molecular weight of 281.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine is sourced from PubChem (CID 107846198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).