N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide

C13H24N2O — CID 107907876

IUPACN-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNC1C=CCCC1
InChIInChI=1S/C13H24N2O/c1-13(2,3)15-12(16)9-10-14-11-7-5-4-6-8-11/h5,7,11,14H,4,6,8-10H2,1-3H3,(H,15,16)
InChIKeyWUEGTPUHOIEXGV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.99
Rot. Bonds4

About N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide

N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide (PubChem CID 107907876) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide
PubChem CID107907876
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide
SMILESCC(C)(C)NC(=O)CCNC1C=CCCC1
InChIInChI=1S/C13H24N2O/c1-13(2,3)15-12(16)9-10-14-11-7-5-4-6-8-11/h5,7,11,14H,4,6,8-10H2,1-3H3,(H,15,16)
InChIKeyWUEGTPUHOIEXGV-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
N-tert-butyl-3-(cyclooctylamino)propanamide
CID 112688516
5-(cyclohex-2-en-1-ylamino)pentanamide
CID 106237404
N-tert-butyl-3-[(2-methylcyclohexyl)amino]propanamide
CID 112688523
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
S-[(1S)-cyclohex-2-en-1-yl] N-tert-butylcarbamothioate
CID 10867620
2-[2-(cyclohex-2-en-1-ylamino)ethoxy]acetamide
CID 106238210
3-(cyclopropylamino)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 60841584
N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
CID 107908089
N-propylcyclooct-2-en-1-amine
CID 123644376
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide?
The IUPAC name of N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide (CID 107907876) is N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide is CC(C)(C)NC(=O)CCNC1C=CCCC1.
What is the InChIKey of N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide?
The InChIKey is WUEGTPUHOIEXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)15-12(16)9-10-14-11-7-5-4-6-8-11/h5,7,11,14H,4,6,8-10H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide?
N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide has a molecular weight of 224.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide is sourced from PubChem (CID 107907876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).