2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide

C15H25N3O — CID 43318743

IUPAC2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
SMILESCc1ccc(N(CCCN)CC(=O)NC(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)17-15(19)11-18(10-4-9-16)14-7-5-13(3)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyGAYMBKLUELYQBS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.67
Rot. Bonds7

About 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide

2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide (PubChem CID 43318743) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
PubChem CID43318743
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
SMILESCc1ccc(N(CCCN)CC(=O)NC(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-12(2)17-15(19)11-18(10-4-9-16)14-7-5-13(3)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyGAYMBKLUELYQBS-UHFFFAOYSA-N
XLogP1.67
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
2-[N-(3-aminopropyl)-4-methylanilino]-N-methyl-N-propan-2-ylacetamide
CID 43136070
3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
CID 62624331
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
2-[N-(3-aminopropyl)-3-methylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61487959
2-[N-(3-aminopropyl)-4-methylanilino]-N-butan-2-ylpropanamide
CID 43318758
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine
CID 106450778

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide (CID 43318743) is 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide is Cc1ccc(N(CCCN)CC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide?
The InChIKey is GAYMBKLUELYQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)17-15(19)11-18(10-4-9-16)14-7-5-13(3)6-8-14/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide?
2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43318743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).