N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine

C15H18N2 — CID 14196964

IUPACN-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine
SMILESC=C=CCN(C)Cc1cc2ccccc2n1C
InChIInChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h5-9,11H,1,10,12H2,2-3H3
InChIKeyWERYIEFXGPEHII-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine

N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine (PubChem CID 14196964) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine
PubChem CID14196964
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine
SMILESC=C=CCN(C)Cc1cc2ccccc2n1C
InChIInChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h5-9,11H,1,10,12H2,2-3H3
InChIKeyWERYIEFXGPEHII-UHFFFAOYSA-N
XLogP2.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine?
The IUPAC name of N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine (CID 14196964) is N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine.
What is the SMILES notation for N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine?
The canonical SMILES for N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine is C=C=CCN(C)Cc1cc2ccccc2n1C.
What is the InChIKey of N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine?
The InChIKey is WERYIEFXGPEHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-4-5-10-16(2)12-14-11-13-8-6-7-9-15(13)17(14)3/h5-9,11H,1,10,12H2,2-3H3.
What are the key properties of N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine?
N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine has a molecular weight of 226.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylindol-2-yl)methyl]buta-2,3-dien-1-amine is sourced from PubChem (CID 14196964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).