2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide

C14H24N2O — CID 79870047

IUPAC2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC1CCCCC1(C)C
InChIInChI=1S/C14H24N2O/c1-5-10-15-13(17)11(2)16-12-8-6-7-9-14(12,3)4/h1,11-12,16H,6-10H2,2-4H3,(H,15,17)
InChIKeyPRBGHGSRIZJEAJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.68
Rot. Bonds4

About 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide

2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide (PubChem CID 79870047) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide
PubChem CID79870047
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC1CCCCC1(C)C
InChIInChI=1S/C14H24N2O/c1-5-10-15-13(17)11(2)16-12-8-6-7-9-14(12,3)4/h1,11-12,16H,6-10H2,2-4H3,(H,15,17)
InChIKeyPRBGHGSRIZJEAJ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(2,2-dimethylcyclopentyl)amino]propanamide
CID 79870432
2-[(2,2-dimethylcyclopentyl)amino]-N-pentylpropanamide
CID 79861280
2-[(2,2-dimethylcyclopentyl)amino]-N-pentan-3-ylpropanamide
CID 79861523
2-[(2,2-dimethylcyclohexyl)amino]-N-phenylpropanamide
CID 79870022
N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
CID 79358552
3-[(2,2-dimethylcyclohexyl)amino]-2-methylbutanoic acid
CID 79870300
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
2-[(1-methylpiperidin-4-yl)amino]-N-prop-2-ynylpropanamide
CID 43373498
2-[(2,2-dimethylcyclohexyl)amino]-N'-hydroxypropanimidamide
CID 79879008
N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide
CID 103062976
2-[(2,2-dimethylcyclohexyl)amino]propane-1,3-diol
CID 79836294

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide (CID 79870047) is 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NC1CCCCC1(C)C.
What is the InChIKey of 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is PRBGHGSRIZJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-10-15-13(17)11(2)16-12-8-6-7-9-14(12,3)4/h1,11-12,16H,6-10H2,2-4H3,(H,15,17).
What are the key properties of 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide?
2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 236.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexyl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 79870047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).