N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine

C21H38N6 — CID 143803511

IUPACN,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine
SMILESC=C(C)n1nccc1/N=C/CCCCCNCCC.C=NN(C)C=C(C)C
InChIInChI=1S/C15H26N4.C6H12N2/c1-4-10-16-11-7-5-6-8-12-17-15-9-13-18-19(15)14(2)3;1-6(2)5-8(4)7-3/h9,12-13,16H,2,4-8,10-11H2,1,3H3;5H,3H2,1-2,4H3/b17-12+;
InChIKeyXDHIOPCLJHOILA-KCUXUEJTSA-N
MW374.58 g/mol
LogP5.09
Rot. Bonds12

About N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine

N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine (PubChem CID 143803511) has the molecular formula C21H38N6 and a molecular weight of 374.58 g/mol. Its IUPAC name is N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine
PubChem CID143803511
Molecular FormulaC21H38N6
Molecular Weight374.58 g/mol
Exact Mass374.32
IUPAC NameN,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine
SMILESC=C(C)n1nccc1/N=C/CCCCCNCCC.C=NN(C)C=C(C)C
InChIInChI=1S/C15H26N4.C6H12N2/c1-4-10-16-11-7-5-6-8-12-17-15-9-13-18-19(15)14(2)3;1-6(2)5-8(4)7-3/h9,12-13,16H,2,4-8,10-11H2,1,3H3;5H,3H2,1-2,4H3/b17-12+;
InChIKeyXDHIOPCLJHOILA-KCUXUEJTSA-N
XLogP5.09
TPSA57.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.58
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine?
The IUPAC name of N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine (CID 143803511) is N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine?
The canonical SMILES for N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine is C=C(C)n1nccc1/N=C/CCCCCNCCC.C=NN(C)C=C(C)C.
What is the InChIKey of N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine?
The InChIKey is XDHIOPCLJHOILA-KCUXUEJTSA-N. The full InChI is InChI=1S/C15H26N4.C6H12N2/c1-4-10-16-11-7-5-6-8-12-17-15-9-13-18-19(15)14(2)3;1-6(2)5-8(4)7-3/h9,12-13,16H,2,4-8,10-11H2,1,3H3;5H,3H2,1-2,4H3/b17-12+;.
What are the key properties of N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine?
N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine has a molecular weight of 374.58 g/mol, XLogP of 5.09, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine is sourced from PubChem (CID 143803511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).