N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide

C15H31N3O — CID 79122141

IUPACN-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
SMILESCNC1CCC(N(C)C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-11(14(19)17-15(2,3)4)18(6)13-9-7-12(16-5)8-10-13/h11-13,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyXXIFOQXNRZURLH-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.75
Rot. Bonds4

About N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide

N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide (PubChem CID 79122141) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
PubChem CID79122141
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
SMILESCNC1CCC(N(C)C(C)C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-11(14(19)17-15(2,3)4)18(6)13-9-7-12(16-5)8-10-13/h11-13,16H,7-10H2,1-6H3,(H,17,19)
InChIKeyXXIFOQXNRZURLH-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide (CID 79122141) is N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide is CNC1CCC(N(C)C(C)C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide?
The InChIKey is XXIFOQXNRZURLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(14(19)17-15(2,3)4)18(6)13-9-7-12(16-5)8-10-13/h11-13,16H,7-10H2,1-6H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide?
N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide is sourced from PubChem (CID 79122141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).