3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide

C15H30N2O — CID 54935093

IUPAC3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)12-6-8-13(9-7-12)16-11-10-14(18)17(4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyAXGPCWZGRPRHGN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds4

About 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide

3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide (PubChem CID 54935093) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide
PubChem CID54935093
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-15(2,3)12-6-8-13(9-7-12)16-11-10-14(18)17(4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyAXGPCWZGRPRHGN-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylacetamide
CID 43214573
methyl 3-[(4-tert-butylcyclohexyl)amino]propanoate
CID 43139776
3-[(4-tert-butylcyclohexyl)amino]-N-propylpropanamide
CID 61060237
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
methyl 4-[(4-tert-butylcyclohexyl)amino]butanoate
CID 60782440
2-[(4-tert-butylcyclohexyl)amino]-N-ethyl-N-methylacetamide
CID 104923581
4-(cyclobutylamino)-N,N-dimethylbutanamide
CID 62415155
N,N-dimethyl-3-(oxolan-3-ylamino)propanamide
CID 63335526
2-amino-2-cyclopropyl-N-[3-(dimethylamino)-3-oxopropyl]propanamide
CID 60926837
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756
3-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N,N-dimethylpropanamide
CID 102731154
N,N-dimethyl-3-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561625

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide (CID 54935093) is 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide?
The InChIKey is AXGPCWZGRPRHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)12-6-8-13(9-7-12)16-11-10-14(18)17(4)5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide?
3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide has a molecular weight of 254.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylcyclohexyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54935093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).