N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide

C10H20N4O — CID 115601387

IUPACN-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide
SMILESCC(NC1=NCCN1)C(=O)NC(C)(C)C
InChIInChI=1S/C10H20N4O/c1-7(8(15)14-10(2,3)4)13-9-11-5-6-12-9/h7H,5-6H2,1-4H3,(H,14,15)(H2,11,12,13)
InChIKeyNQRNSBZWCIRUIV-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.16
Rot. Bonds2

About N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide

N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide (PubChem CID 115601387) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide
PubChem CID115601387
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide
SMILESCC(NC1=NCCN1)C(=O)NC(C)(C)C
InChIInChI=1S/C10H20N4O/c1-7(8(15)14-10(2,3)4)13-9-11-5-6-12-9/h7H,5-6H2,1-4H3,(H,14,15)(H2,11,12,13)
InChIKeyNQRNSBZWCIRUIV-UHFFFAOYSA-N
XLogP-0.16
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoate
CID 170212082
3-(4,5-dihydro-1H-imidazol-2-ylamino)butan-1-ol
CID 114400383
1-(4,5-dihydro-1H-imidazol-2-ylamino)propan-2-one
CID 142858674
(2R)-N-tert-butyl-2-(pyrazin-2-ylamino)propanamide
CID 129379444
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-2-ol
CID 127013524
N-tert-butyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propanamide
CID 115682841
N-tert-butyl-2-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanamide
CID 113407961
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylpropanamide
CID 112690234
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-tert-butyl-2-[(2-methyl-4-pyridinyl)amino]propanamide
CID 113464422
N-tert-butyl-2-(2,2-dimethylhydrazinyl)propanamide
CID 83013632
N-tert-butyl-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788692

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide (CID 115601387) is N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide is CC(NC1=NCCN1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide?
The InChIKey is NQRNSBZWCIRUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(8(15)14-10(2,3)4)13-9-11-5-6-12-9/h7H,5-6H2,1-4H3,(H,14,15)(H2,11,12,13).
What are the key properties of N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide?
N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide has a molecular weight of 212.30 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,5-dihydro-1H-imidazol-2-ylamino)propanamide is sourced from PubChem (CID 115601387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).