N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine

C18H29N3 — CID 65380739

IUPACN-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCN1CCc2cc(C(CN)NC3CCCCCC3)ccc21
InChIInChI=1S/C18H29N3/c1-21-11-10-15-12-14(8-9-18(15)21)17(13-19)20-16-6-4-2-3-5-7-16/h8-9,12,16-17,20H,2-7,10-11,13,19H2,1H3
InChIKeyFNEIOIYUYBNPQF-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.99
Rot. Bonds4

About N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine

N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (PubChem CID 65380739) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
PubChem CID65380739
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
SMILESCN1CCc2cc(C(CN)NC3CCCCCC3)ccc21
InChIInChI=1S/C18H29N3/c1-21-11-10-15-12-14(8-9-18(15)21)17(13-19)20-16-6-4-2-3-5-7-16/h8-9,12,16-17,20H,2-7,10-11,13,19H2,1H3
InChIKeyFNEIOIYUYBNPQF-UHFFFAOYSA-N
XLogP2.99
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096530
cyclopentyl-(1-methyl-2,3-dihydroindol-5-yl)methanol
CID 63900130
N-benzyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 65385490
N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096356
5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
CID 107316969
2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 63624247
3-amino-2-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138006
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 79188674
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
N-[2-(dimethylamino)ethyl]-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 63694643

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine (CID 65380739) is N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is CN1CCc2cc(C(CN)NC3CCCCCC3)ccc21.
What is the InChIKey of N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
The InChIKey is FNEIOIYUYBNPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-21-11-10-15-12-14(8-9-18(15)21)17(13-19)20-16-6-4-2-3-5-7-16/h8-9,12,16-17,20H,2-7,10-11,13,19H2,1H3.
What are the key properties of N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine?
N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine has a molecular weight of 287.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 65380739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).