3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide

C14H28N2O — CID 122664372

IUPAC3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide
SMILESC=C(CC(C)C)NCCCNC(=O)CC(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)9-13(5)15-7-6-8-16-14(17)10-12(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyYRCJAICQUWNIEV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.69
Rot. Bonds9

About 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide

3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide (PubChem CID 122664372) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide
PubChem CID122664372
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide
SMILESC=C(CC(C)C)NCCCNC(=O)CC(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)9-13(5)15-7-6-8-16-14(17)10-12(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17)
InChIKeyYRCJAICQUWNIEV-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide?
The IUPAC name of 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide (CID 122664372) is 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide?
The canonical SMILES for 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide is C=C(CC(C)C)NCCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide?
The InChIKey is YRCJAICQUWNIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)9-13(5)15-7-6-8-16-14(17)10-12(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide?
3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide has a molecular weight of 240.39 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-methylpent-1-en-2-ylamino)propyl]butanamide is sourced from PubChem (CID 122664372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).