3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide

C19H29N5O — CID 111341271

IUPAC3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C19H29N5O/c1-4-21-18(23-14-19(2,3)17(20)25)22-11-7-12-24-13-10-15-8-5-6-9-16(15)24/h5-6,8-10,13H,4,7,11-12,14H2,1-3H3,(H2,20,25)(H2,21,22,23)
InChIKeyCQJZJVQPAOHBCI-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.10
Rot. Bonds8

About 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide

3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 111341271) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID111341271
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C19H29N5O/c1-4-21-18(23-14-19(2,3)17(20)25)22-11-7-12-24-13-10-15-8-5-6-9-16(15)24/h5-6,8-10,13H,4,7,11-12,14H2,1-3H3,(H2,20,25)(H2,21,22,23)
InChIKeyCQJZJVQPAOHBCI-UHFFFAOYSA-N
XLogP2.10
TPSA84.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111341954
methyl 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111341614
N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide
CID 111342083
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111341446
1-ethyl-2-(3-indol-1-ylpropyl)-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111341258
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine
CID 111341379
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111341630
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111341378
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111342095
2-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-(3-indol-1-ylpropyl)guanidine
CID 111341507
2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111341312
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 111341271) is 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide is CCN/C(=N\CC(C)(C)C(N)=O)NCCCn1ccc2ccccc21.
What is the InChIKey of 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is CQJZJVQPAOHBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-4-21-18(23-14-19(2,3)17(20)25)22-11-7-12-24-13-10-15-8-5-6-9-16(15)24/h5-6,8-10,13H,4,7,11-12,14H2,1-3H3,(H2,20,25)(H2,21,22,23).
What are the key properties of 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide?
3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 343.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 111341271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).