(2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide

C10H20N2O — CID 142839410

IUPAC(2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide
SMILESC=C(C)N[C@@H](CC(C)C)C(=O)NC
InChIInChI=1S/C10H20N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h7,9,12H,3,6H2,1-2,4-5H3,(H,11,13)/t9-/m0/s1
InChIKeyCZBSLLYALCIPID-VIFPVBQESA-N
MW184.28 g/mol
LogP1.27
Rot. Bonds5

About (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide

(2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide (PubChem CID 142839410) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide
PubChem CID142839410
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide
SMILESC=C(C)N[C@@H](CC(C)C)C(=O)NC
InChIInChI=1S/C10H20N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h7,9,12H,3,6H2,1-2,4-5H3,(H,11,13)/t9-/m0/s1
InChIKeyCZBSLLYALCIPID-VIFPVBQESA-N
XLogP1.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide?
The IUPAC name of (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide (CID 142839410) is (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide.
What is the SMILES notation for (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide?
The canonical SMILES for (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide is C=C(C)N[C@@H](CC(C)C)C(=O)NC.
What is the InChIKey of (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide?
The InChIKey is CZBSLLYALCIPID-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)6-9(10(13)11-5)12-8(3)4/h7,9,12H,3,6H2,1-2,4-5H3,(H,11,13)/t9-/m0/s1.
What are the key properties of (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide?
(2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide has a molecular weight of 184.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,4-dimethyl-2-(prop-1-en-2-ylamino)pentanamide is sourced from PubChem (CID 142839410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).