N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen

C18H28N4 — CID 143888648

IUPACN-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen
SMILESC/N=C/N=C/C(C)Cc1ccc2[nH]cc(CCN(C)C)c2c1.[H][H]
InChIInChI=1S/C18H26N4.H2/c1-14(11-20-13-19-2)9-15-5-6-18-17(10-15)16(12-21-18)7-8-22(3)4;/h5-6,10-14,21H,7-9H2,1-4H3;1H/b19-13+,20-11+;
InChIKeyBTYRBQAGIJWLQP-VMQSLFSOSA-N
MW300.45 g/mol
LogP3.43
Rot. Bonds7

About N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen

N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen (PubChem CID 143888648) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen
PubChem CID143888648
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen
SMILESC/N=C/N=C/C(C)Cc1ccc2[nH]cc(CCN(C)C)c2c1.[H][H]
InChIInChI=1S/C18H26N4.H2/c1-14(11-20-13-19-2)9-15-5-6-18-17(10-15)16(12-21-18)7-8-22(3)4;/h5-6,10-14,21H,7-9H2,1-4H3;1H/b19-13+,20-11+;
InChIKeyBTYRBQAGIJWLQP-VMQSLFSOSA-N
XLogP3.43
TPSA43.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
CID 70821613
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
2-[5-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 54378350
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3,4-dihydropyrrol-2-one
CID 141267623
N,N-dimethyl-2-[5-(trifluoromethylsulfanyl)-1H-indol-3-yl]ethanamine
CID 172578416
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
CID 14180996

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen?
The IUPAC name of N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen (CID 143888648) is N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen.
What is the SMILES notation for N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen?
The canonical SMILES for N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen is C/N=C/N=C/C(C)Cc1ccc2[nH]cc(CCN(C)C)c2c1.[H][H].
What is the InChIKey of N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen?
The InChIKey is BTYRBQAGIJWLQP-VMQSLFSOSA-N. The full InChI is InChI=1S/C18H26N4.H2/c1-14(11-20-13-19-2)9-15-5-6-18-17(10-15)16(12-21-18)7-8-22(3)4;/h5-6,10-14,21H,7-9H2,1-4H3;1H/b19-13+,20-11+;.
What are the key properties of N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen?
N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen has a molecular weight of 300.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-2-methylpropylidene]-N'-methylmethanimidamide;molecular hydrogen is sourced from PubChem (CID 143888648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).