N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine

C13H17N3 — CID 170495931

IUPACN-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine
SMILESCNCCC=Cc1ccc2cnn(C)c2c1
InChIInChI=1S/C13H17N3/c1-14-8-4-3-5-11-6-7-12-10-15-16(2)13(12)9-11/h3,5-7,9-10,14H,4,8H2,1-2H3
InChIKeyPNIPSUOMXXKHQA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.20
Rot. Bonds4

About N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine

N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine (PubChem CID 170495931) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine
PubChem CID170495931
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine
SMILESCNCCC=Cc1ccc2cnn(C)c2c1
InChIInChI=1S/C13H17N3/c1-14-8-4-3-5-11-6-7-12-10-15-16(2)13(12)9-11/h3,5-7,9-10,14H,4,8H2,1-2H3
InChIKeyPNIPSUOMXXKHQA-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284
N-methyl-4-(6-methyl-3-pyridinyl)but-3-en-1-amine
CID 54149645
N,1-dimethylindazol-6-amine
CID 23544368
6-[4-(methylamino)but-1-enyl]naphthalene-2-carboxylic acid
CID 170496678
benzyl N-[3-(1-methylindazol-6-yl)prop-2-enyl]carbamate
CID 169471789
4-[(Z)-4-(methylamino)but-1-enyl]phenol
CID 117268085
5-[4-(methylamino)but-1-enyl]-1,2-benzoxazol-3-amine
CID 170495935
2-bromo-4-[4-(methylamino)but-1-enyl]phenol
CID 170496795
4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-1-amine
CID 170495335
4-(2-chloro-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495263
N-methyl-4-(3-trimethylsilylphenyl)but-3-en-1-amine
CID 170495970
(E)-3-[4-[4-(methylamino)but-1-enyl]phenyl]prop-2-enal
CID 170496048

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine (CID 170495931) is N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine is CNCCC=Cc1ccc2cnn(C)c2c1.
What is the InChIKey of N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine?
The InChIKey is PNIPSUOMXXKHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-8-4-3-5-11-6-7-12-10-15-16(2)13(12)9-11/h3,5-7,9-10,14H,4,8H2,1-2H3.
What are the key properties of N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine?
N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylindazol-6-yl)but-3-en-1-amine is sourced from PubChem (CID 170495931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).