N-tert-butyl-3-(2-methylbutylamino)propanamide

C12H26N2O — CID 115887441

IUPACN-tert-butyl-3-(2-methylbutylamino)propanamide
SMILESCCC(C)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-6-10(2)9-13-8-7-11(15)14-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyCHHVMOQSCJJNON-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.93
Rot. Bonds6

About N-tert-butyl-3-(2-methylbutylamino)propanamide

N-tert-butyl-3-(2-methylbutylamino)propanamide (PubChem CID 115887441) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-tert-butyl-3-(2-methylbutylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(2-methylbutylamino)propanamide
PubChem CID115887441
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-tert-butyl-3-(2-methylbutylamino)propanamide
SMILESCCC(C)CNCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H26N2O/c1-6-10(2)9-13-8-7-11(15)14-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15)
InChIKeyCHHVMOQSCJJNON-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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Related Compounds

N-tert-butyl-3-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 115605400
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106932485
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
3-[(3-butoxy-2-hydroxypropyl)amino]-N-tert-butylpropanamide
CID 107263051
(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
CID 103833053
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide
CID 113409920
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2-methylbutylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(2-methylbutylamino)propanamide (CID 115887441) is N-tert-butyl-3-(2-methylbutylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(2-methylbutylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(2-methylbutylamino)propanamide is CCC(C)CNCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(2-methylbutylamino)propanamide?
The InChIKey is CHHVMOQSCJJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-10(2)9-13-8-7-11(15)14-12(3,4)5/h10,13H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-tert-butyl-3-(2-methylbutylamino)propanamide?
N-tert-butyl-3-(2-methylbutylamino)propanamide 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 N-tert-butyl-3-(2-methylbutylamino)propanamide is sourced from PubChem (CID 115887441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).