(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide

C13H28N2O — CID 95236092

IUPAC(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@H](C)N(C)CC(C)C
InChIInChI=1S/C13H28N2O/c1-7-8-11(4)14-13(16)12(5)15(6)9-10(2)3/h10-12H,7-9H2,1-6H3,(H,14,16)/t11-,12-/m0/s1
InChIKeyIVZCPOVMYHCTIT-RYUDHWBXSA-N
MW228.38 g/mol
LogP2.27
Rot. Bonds7

About (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide

(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide (PubChem CID 95236092) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
PubChem CID95236092
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@H](C)N(C)CC(C)C
InChIInChI=1S/C13H28N2O/c1-7-8-11(4)14-13(16)12(5)15(6)9-10(2)3/h10-12H,7-9H2,1-6H3,(H,14,16)/t11-,12-/m0/s1
InChIKeyIVZCPOVMYHCTIT-RYUDHWBXSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-N-pentan-2-ylpropanamide
CID 62020256
2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide
CID 63759181
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
CID 115596141
2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide
CID 66184816
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
2-[methyl(piperidin-3-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106636671
2-bromo-N-pentan-2-ylpropanamide
CID 81222887
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 107485178
2-[tert-butyl-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]acetic acid
CID 79268870
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
CID 81491323
2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 43137419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide?
The IUPAC name of (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide (CID 95236092) is (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide is CCC[C@H](C)NC(=O)[C@H](C)N(C)CC(C)C.
What is the InChIKey of (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide?
The InChIKey is IVZCPOVMYHCTIT-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-8-11(4)14-13(16)12(5)15(6)9-10(2)3/h10-12H,7-9H2,1-6H3,(H,14,16)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide?
(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide is sourced from PubChem (CID 95236092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).