3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide

C16H27N3O — CID 62624496

IUPAC3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)18-16(20)9-10-19(13(3)4)15-7-5-14(11-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyLFZCMXQUBDQFRB-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.27
Rot. Bonds7

About 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide

3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide (PubChem CID 62624496) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide
PubChem CID62624496
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-12(2)18-16(20)9-10-19(13(3)4)15-7-5-14(11-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20)
InChIKeyLFZCMXQUBDQFRB-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.27
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

3-[[4-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 55098335
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
CID 43276091
2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488232
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
CID 54935598
3-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-propan-2-ylpropanamide
CID 62624662
3-[(2-amino-2-oxoethyl)-[(4-aminophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 62628056
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
4-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53286515
2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
CID 43275941
3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
CID 62624331

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide (CID 62624496) is 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(c1ccc(CN)cc1)C(C)C.
What is the InChIKey of 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide?
The InChIKey is LFZCMXQUBDQFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)18-16(20)9-10-19(13(3)4)15-7-5-14(11-17)6-8-15/h5-8,12-13H,9-11,17H2,1-4H3,(H,18,20).
What are the key properties of 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide?
3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 62624496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).