3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide

C12H26N2O — CID 134175320

IUPAC3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide
SMILESCC(C)NCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)13-7-6-8-14-11(15)9-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyWNFLYFQQENZBBN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds6

About 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide

3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide (PubChem CID 134175320) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide
PubChem CID134175320
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide
SMILESCC(C)NCCCNC(=O)CC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)13-7-6-8-14-11(15)9-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyWNFLYFQQENZBBN-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.93
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 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide (CID 134175320) is 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide is CC(C)NCCCNC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide?
The InChIKey is WNFLYFQQENZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)13-7-6-8-14-11(15)9-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide?
3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide has a molecular weight of 214.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(propan-2-ylamino)propyl]butanamide is sourced from PubChem (CID 134175320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).