5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine

C18H25N3 — CID 61451033

IUPAC5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine
SMILESCCC1CCC(N(C)c2ccc(N)c3cnccc23)CC1
InChIInChI=1S/C18H25N3/c1-3-13-4-6-14(7-5-13)21(2)18-9-8-17(19)16-12-20-11-10-15(16)18/h8-14H,3-7,19H2,1-2H3
InChIKeyFLZPJGHZEMLNBW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.22
Rot. Bonds3

About 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine

5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine (PubChem CID 61451033) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine
PubChem CID61451033
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine
SMILESCCC1CCC(N(C)c2ccc(N)c3cnccc23)CC1
InChIInChI=1S/C18H25N3/c1-3-13-4-6-14(7-5-13)21(2)18-9-8-17(19)16-12-20-11-10-15(16)18/h8-14H,3-7,19H2,1-2H3
InChIKeyFLZPJGHZEMLNBW-UHFFFAOYSA-N
XLogP4.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine with MolForge

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Launch Full Analysis

Related Compounds

8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine
CID 103137554
5-N-methyl-5-N-(oxolan-3-yl)isoquinoline-5,8-diamine
CID 82741316
5-N-(cyclopropylmethyl)-5-N-propan-2-ylisoquinoline-5,8-diamine
CID 55001589
5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine
CID 63631040
8-N-methyl-8-N-(1-methylpiperidin-3-yl)isoquinoline-5,8-diamine
CID 103138139
6-N-cycloheptyl-6-N-methylisoquinoline-5,6-diamine
CID 106947696
5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine
CID 43382753
N-(4-ethylcyclohexyl)-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073619
3-[(4-ethylcyclohexyl)methyl]pyridin-4-amine
CID 64776930
8-N-[2-(cyclopropylmethoxy)ethyl]-8-N-methylisoquinoline-5,8-diamine
CID 103138752
2-N-(4-ethylcyclohexyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 79173042
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine
CID 55004739

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine?
The IUPAC name of 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine (CID 61451033) is 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine?
The canonical SMILES for 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine is CCC1CCC(N(C)c2ccc(N)c3cnccc23)CC1.
What is the InChIKey of 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine?
The InChIKey is FLZPJGHZEMLNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-13-4-6-14(7-5-13)21(2)18-9-8-17(19)16-12-20-11-10-15(16)18/h8-14H,3-7,19H2,1-2H3.
What are the key properties of 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine?
5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine has a molecular weight of 283.42 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine is sourced from PubChem (CID 61451033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).